1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine

C20H19N5S — CID 123646349

IUPAC1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12
InChIInChI=1S/C20H19N5S/c1-13(21)12-23-20-18-16(11-17(26-18)14-5-3-2-4-6-14)24-19(25-20)15-7-9-22-10-8-15/h2-11,13H,12,21H2,1H3,(H,23,24,25)
InChIKeyVHFKPRNRSLTBPE-UHFFFAOYSA-N
MW361.47 g/mol
LogP4.18
Rot. Bonds5

About 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine

1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine (PubChem CID 123646349) has the molecular formula C20H19N5S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
PubChem CID123646349
Molecular FormulaC20H19N5S
Molecular Weight361.47 g/mol
Exact Mass361.14
IUPAC Name1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
SMILESCC(N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12
InChIInChI=1S/C20H19N5S/c1-13(21)12-23-20-18-16(11-17(26-18)14-5-3-2-4-6-14)24-19(25-20)15-7-9-22-10-8-15/h2-11,13H,12,21H2,1H3,(H,23,24,25)
InChIKeyVHFKPRNRSLTBPE-UHFFFAOYSA-N
XLogP4.18
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-N-(7-bromo-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine
CID 123207423
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
1-N-(7-chloro-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)-3-phenylpropane-1,2-diamine
CID 123274491
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582
(2S)-3-[(2-pyridin-4-ylquinazolin-4-yl)amino]propane-1,2-diol
CID 11150616
1-N-[7-(2-methylpyrazol-3-yl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123944345
N-(2-morpholin-4-ylpropyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166205965
1-N-[7-(3,3-dimethylbut-1-ynyl)-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123805448
6-phenyl-N-(1-phenylethyl)thieno[3,2-d]pyrimidin-4-amine
CID 18382769
1-N-[7-(3-methoxy-4-pyridinyl)-6-methyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl]-3-phenylpropane-1,2-diamine
CID 123835237
1-N,1-N-dimethyl-3-N-(2-pyridin-4-ylquinazolin-4-yl)butane-1,3-diamine
CID 133276695

Frequently Asked Questions

What is the IUPAC name of 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine (CID 123646349) is 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine is CC(N)CNc1nc(-c2ccncc2)nc2cc(-c3ccccc3)sc12.
What is the InChIKey of 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
The InChIKey is VHFKPRNRSLTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5S/c1-13(21)12-23-20-18-16(11-17(26-18)14-5-3-2-4-6-14)24-19(25-20)15-7-9-22-10-8-15/h2-11,13H,12,21H2,1H3,(H,23,24,25).
What are the key properties of 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine?
1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine has a molecular weight of 361.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(6-phenyl-2-pyridin-4-ylthieno[3,2-d]pyrimidin-4-yl)propane-1,2-diamine is sourced from PubChem (CID 123646349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).