2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

C18H19N5S — CID 95723151

IUPAC2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1nc(-c2cccnc2)nc2c1CNC2)c1cccs1
InChIInChI=1S/C18H19N5S/c1-2-14(16-6-4-8-24-16)21-18-13-10-20-11-15(13)22-17(23-18)12-5-3-7-19-9-12/h3-9,14,20H,2,10-11H2,1H3,(H,21,22,23)/t14-/m0/s1
InChIKeyNSWXNKUVFSZGIJ-AWEZNQCLSA-N
MW337.45 g/mol
LogP3.77
Rot. Bonds5

About 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine

2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (PubChem CID 95723151) has the molecular formula C18H19N5S and a molecular weight of 337.45 g/mol. Its IUPAC name is 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
PubChem CID95723151
Molecular FormulaC18H19N5S
Molecular Weight337.45 g/mol
Exact Mass337.14
IUPAC Name2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
SMILESCC[C@H](Nc1nc(-c2cccnc2)nc2c1CNC2)c1cccs1
InChIInChI=1S/C18H19N5S/c1-2-14(16-6-4-8-24-16)21-18-13-10-20-11-15(13)22-17(23-18)12-5-3-7-19-9-12/h3-9,14,20H,2,10-11H2,1H3,(H,21,22,23)/t14-/m0/s1
InChIKeyNSWXNKUVFSZGIJ-AWEZNQCLSA-N
XLogP3.77
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(3-ethyl-1,2-oxazol-5-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 95720129
N-[2-(3-methylthiophen-2-yl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56908265
N-[1-(2-propoxyphenyl)ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56912034
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229618
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95229619
N-(2-methoxy-2-thiophen-2-ylethyl)-2-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56915915
N-[1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56911793
4-N-(1-thiophen-2-ylpropyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-2,4-diamine;dihydrochloride
CID 154885577
N-[(2-methoxyphenyl)methyl]-2-pyridin-3-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56898791
N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95221672
2-pyridin-3-yl-N-[2-(2H-triazol-4-ylsulfanyl)ethyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine
CID 56884833
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-pyridin-3-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56880327

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine (CID 95723151) is 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is CC[C@H](Nc1nc(-c2cccnc2)nc2c1CNC2)c1cccs1.
What is the InChIKey of 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
The InChIKey is NSWXNKUVFSZGIJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5S/c1-2-14(16-6-4-8-24-16)21-18-13-10-20-11-15(13)22-17(23-18)12-5-3-7-19-9-12/h3-9,14,20H,2,10-11H2,1H3,(H,21,22,23)/t14-/m0/s1.
What are the key properties of 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine?
2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine has a molecular weight of 337.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-N-[(1S)-1-thiophen-2-ylpropyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95723151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).