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

C22H28N6OS — CID 177314309

IUPAC2-[[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
SMILESCC(C)(CO)Nc1nc(N2CC=C(c3ncc(C4CC4)cn3)CC2)nc2c1SCC2
InChIInChI=1S/C22H28N6OS/c1-22(2,13-29)27-20-18-17(7-10-30-18)25-21(26-20)28-8-5-15(6-9-28)19-23-11-16(12-24-19)14-3-4-14/h5,11-12,14,29H,3-4,6-10,13H2,1-2H3,(H,25,26,27)
InChIKeyPCRHMWJZQIDBDE-UHFFFAOYSA-N
MW424.57 g/mol
LogP3.27
Rot. Bonds6

About 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

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 (PubChem CID 177314309) has the molecular formula C22H28N6OS and a molecular weight of 424.57 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[[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
PubChem CID177314309
Molecular FormulaC22H28N6OS
Molecular Weight424.57 g/mol
Exact Mass424.20
IUPAC Name2-[[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
SMILESCC(C)(CO)Nc1nc(N2CC=C(c3ncc(C4CC4)cn3)CC2)nc2c1SCC2
InChIInChI=1S/C22H28N6OS/c1-22(2,13-29)27-20-18-17(7-10-30-18)25-21(26-20)28-8-5-15(6-9-28)19-23-11-16(12-24-19)14-3-4-14/h5,11-12,14,29H,3-4,6-10,13H2,1-2H3,(H,25,26,27)
InChIKeyPCRHMWJZQIDBDE-UHFFFAOYSA-N
XLogP3.27
TPSA87.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(CO)Nc1nc(N2CC=C(c3ncc(C4CC4)cn3)CC2)nc2c1SCC2.
What is the InChIKey of 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?
The InChIKey is PCRHMWJZQIDBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OS/c1-22(2,13-29)27-20-18-17(7-10-30-18)25-21(26-20)28-8-5-15(6-9-28)19-23-11-16(12-24-19)14-3-4-14/h5,11-12,14,29H,3-4,6-10,13H2,1-2H3,(H,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 424.57 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 177314309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).