(5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine

C17H28N4O2S — CID 164607249

IUPAC(5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(N(C)CCC2CCOCC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C17H28N4O2S/c1-12(2)18-16-15-14(7-11-24(15)22)19-17(20-16)21(3)8-4-13-5-9-23-10-6-13/h12-13H,4-11H2,1-3H3,(H,18,19,20)/t24-/m1/s1
InChIKeyNUELUAPBCYSRPR-XMMPIXPASA-N
MW352.50 g/mol
LogP2.21
Rot. Bonds6

About (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine

(5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 164607249) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name(5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID164607249
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name(5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine
SMILESCC(C)Nc1nc(N(C)CCC2CCOCC2)nc2c1[S@](=O)CC2
InChIInChI=1S/C17H28N4O2S/c1-12(2)18-16-15-14(7-11-24(15)22)19-17(20-16)21(3)8-4-13-5-9-23-10-6-13/h12-13H,4-11H2,1-3H3,(H,18,19,20)/t24-/m1/s1
InChIKeyNUELUAPBCYSRPR-XMMPIXPASA-N
XLogP2.21
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine (CID 164607249) is (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine is CC(C)Nc1nc(N(C)CCC2CCOCC2)nc2c1[S@](=O)CC2.
What is the InChIKey of (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is NUELUAPBCYSRPR-XMMPIXPASA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-12(2)18-16-15-14(7-11-24(15)22)19-17(20-16)21(3)8-4-13-5-9-23-10-6-13/h12-13H,4-11H2,1-3H3,(H,18,19,20)/t24-/m1/s1.
What are the key properties of (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine?
(5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 352.50 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-N-methyl-2-N-[2-(oxan-4-yl)ethyl]-5-oxo-4-N-propan-2-yl-6,7-dihydrothieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 164607249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).