2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

C19H21N5S — CID 70756156

IUPAC2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(Cc1ccsc1)Nc1nc(-c2ccccn2)nc2c1CCNC2
InChIInChI=1S/C19H21N5S/c1-13(10-14-6-9-25-12-14)22-18-15-5-8-20-11-17(15)23-19(24-18)16-4-2-3-7-21-16/h2-4,6-7,9,12-13,20H,5,8,10-11H2,1H3,(H,22,23,24)
InChIKeyVEYZTLDXZFJLOI-UHFFFAOYSA-N
MW351.48 g/mol
LogP3.29
Rot. Bonds5

About 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 70756156) has the molecular formula C19H21N5S and a molecular weight of 351.48 g/mol. Its IUPAC name is 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID70756156
Molecular FormulaC19H21N5S
Molecular Weight351.48 g/mol
Exact Mass351.15
IUPAC Name2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESCC(Cc1ccsc1)Nc1nc(-c2ccccn2)nc2c1CCNC2
InChIInChI=1S/C19H21N5S/c1-13(10-14-6-9-25-12-14)22-18-15-5-8-20-11-17(15)23-19(24-18)16-4-2-3-7-21-16/h2-4,6-7,9,12-13,20H,5,8,10-11H2,1H3,(H,22,23,24)
InChIKeyVEYZTLDXZFJLOI-UHFFFAOYSA-N
XLogP3.29
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-pyrazin-2-ylpropan-2-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56901267
2-pyridin-2-yl-N-(1-thiophen-2-ylethyl)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine
CID 70777142
4-methyl-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;dihydrochloride
CID 71298613
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
N-[(2S)-1-methoxypropan-2-yl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95727447
N-[4-(4-methylpiperazin-1-yl)butan-2-yl]-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133480741
[1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 56909374
[(2S)-1-[2-[(2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]piperidin-2-yl]methanol
CID 95724044
N-[2-(oxan-2-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70722134
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56884802
N-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 56886822
2-pyridin-2-yl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70753057

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 70756156) is 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is CC(Cc1ccsc1)Nc1nc(-c2ccccn2)nc2c1CCNC2.
What is the InChIKey of 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is VEYZTLDXZFJLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5S/c1-13(10-14-6-9-25-12-14)22-18-15-5-8-20-11-17(15)23-19(24-18)16-4-2-3-7-21-16/h2-4,6-7,9,12-13,20H,5,8,10-11H2,1H3,(H,22,23,24).
What are the key properties of 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 351.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-N-(1-thiophen-3-ylpropan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 70756156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).