2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine

C22H29N7OS — CID 176868816

IUPAC2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1nc(N2CC=C(c3ncc(C4CC4)cn3)CC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C22H29N7OS/c1-22(2,13-23)28-20-18-17(7-10-31(18)30)26-21(27-20)29-8-5-15(6-9-29)19-24-11-16(12-25-19)14-3-4-14/h5,11-12,14H,3-4,6-10,13,23H2,1-2H3,(H,26,27,28)/t31-/m1/s1
InChIKeyZXPISOUPHKUKIQ-WJOKGBTCSA-N
MW439.59 g/mol
LogP2.25
Rot. Bonds6

About 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine

2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine (PubChem CID 176868816) has the molecular formula C22H29N7OS and a molecular weight of 439.59 g/mol. Its IUPAC name is 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
PubChem CID176868816
Molecular FormulaC22H29N7OS
Molecular Weight439.59 g/mol
Exact Mass439.22
IUPAC Name2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine
SMILESCC(C)(CN)Nc1nc(N2CC=C(c3ncc(C4CC4)cn3)CC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C22H29N7OS/c1-22(2,13-23)28-20-18-17(7-10-31(18)30)26-21(27-20)29-8-5-15(6-9-29)19-24-11-16(12-25-19)14-3-4-14/h5,11-12,14H,3-4,6-10,13,23H2,1-2H3,(H,26,27,28)/t31-/m1/s1
InChIKeyZXPISOUPHKUKIQ-WJOKGBTCSA-N
XLogP2.25
TPSA109.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.59
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine with MolForge

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Related Compounds

3-[[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-3-methylbutanenitrile
CID 176866913
[2-[[2-[4-(5-cyclobutylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
CID 176869357
[2-[[(5R)-2-[4-(5-fluoropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
CID 176868845
[2-[[(5R)-2-[4-(5-methoxypyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
CID 176867197
[2-[[(5R)-2-[4-[5-(dimethylamino)pyrimidin-2-yl]-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropyl] carbamate
CID 176868453
[2-methyl-2-[[(5S)-5-oxo-2-(4-pyrimidin-2-yl-3,6-dihydro-2H-pyridin-1-yl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]propyl] carbamate
CID 176868179
[1-[[2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl N-methylcarbamate
CID 176868862
2-[[2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
CID 177314309
2-[4-(5-ethynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(oxan-4-yl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 176868466
tert-butyl N-[[1-[[5-oxo-2-[4-(5-prop-1-ynylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]cyclobutyl]methyl]carbamate
CID 176867442
2-[4-[[(5R)-2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]-2-fluorophenyl]acetamide
CID 176867580
2-[4-(5-chloropyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-N-(2-fluoro-4-pyridinyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
CID 176867054

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine?
The IUPAC name of 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine (CID 176868816) is 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine is CC(C)(CN)Nc1nc(N2CC=C(c3ncc(C4CC4)cn3)CC2)nc2c1[S@](=O)CC2.
What is the InChIKey of 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine?
The InChIKey is ZXPISOUPHKUKIQ-WJOKGBTCSA-N. The full InChI is InChI=1S/C22H29N7OS/c1-22(2,13-23)28-20-18-17(7-10-31(18)30)26-21(27-20)29-8-5-15(6-9-29)19-24-11-16(12-25-19)14-3-4-14/h5,11-12,14H,3-4,6-10,13,23H2,1-2H3,(H,26,27,28)/t31-/m1/s1.
What are the key properties of 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine?
2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine has a molecular weight of 439.59 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5R)-2-[4-(5-cyclopropylpyrimidin-2-yl)-3,6-dihydro-2H-pyridin-1-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]-2-methylpropane-1,2-diamine is sourced from PubChem (CID 176868816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).