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

C23H26N6 — CID 56884802

IUPACN-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(-c4ccccn4)nc4c3CCNC4)C2)cc1
InChIInChI=1S/C23H26N6/c1-2-6-17(7-3-1)15-29-13-10-18(16-29)26-22-19-9-12-24-14-21(19)27-23(28-22)20-8-4-5-11-25-20/h1-8,11,18,24H,9-10,12-16H2,(H,26,27,28)
InChIKeyYNIJMORJDXJLQQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.87
Rot. Bonds5

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

N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (PubChem CID 56884802) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
PubChem CID56884802
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC NameN-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
SMILESc1ccc(CN2CCC(Nc3nc(-c4ccccn4)nc4c3CCNC4)C2)cc1
InChIInChI=1S/C23H26N6/c1-2-6-17(7-3-1)15-29-13-10-18(16-29)26-22-19-9-12-24-14-21(19)27-23(28-22)20-8-4-5-11-25-20/h1-8,11,18,24H,9-10,12-16H2,(H,26,27,28)
InChIKeyYNIJMORJDXJLQQ-UHFFFAOYSA-N
XLogP2.87
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 97148580
1-methyl-5-[(2-pyridin-2-yl-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)amino]piperidin-2-one
CID 50983762
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-2-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 95219752
N-(1-benzylpyrrolidin-3-yl)-3-methylpyridin-2-amine
CID 130165925
N-[2-(oxan-2-yl)ethyl]-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 70722134
[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
2-[4-[[(3S)-1-benzylpyrrolidin-3-yl]amino]quinazolin-2-yl]phenol
CID 135921332
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
N-(1-methyl-6-methylidenepiperidin-3-yl)-2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 157371099
3-[(1-benzylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 130167064
4-[3-[[(3R)-1-benzylpyrrolidin-3-yl]amino]pyrazin-2-yl]phenol
CID 137154175

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine (CID 56884802) is N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is c1ccc(CN2CCC(Nc3nc(-c4ccccn4)nc4c3CCNC4)C2)cc1.
What is the InChIKey of N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is YNIJMORJDXJLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-2-6-17(7-3-1)15-29-13-10-18(16-29)26-22-19-9-12-24-14-21(19)27-23(28-22)20-8-4-5-11-25-20/h1-8,11,18,24H,9-10,12-16H2,(H,26,27,28).
What are the key properties of N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine?
N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 386.50 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrrolidin-3-yl)-2-pyridin-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 56884802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).