4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

C15H19N5 — CID 83870664

IUPAC4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESNCc1nc(N)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H19N5/c16-8-13-12-6-7-20(9-11-4-2-1-3-5-11)10-14(12)19-15(17)18-13/h1-5H,6-10,16H2,(H2,17,18,19)
InChIKeyLPADPAXRWHFKFI-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.08
Rot. Bonds3

About 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine

4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 83870664) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
PubChem CID83870664
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
SMILESNCc1nc(N)nc2c1CCN(Cc1ccccc1)C2
InChIInChI=1S/C15H19N5/c16-8-13-12-6-7-20(9-11-4-2-1-3-5-11)10-14(12)19-15(17)18-13/h1-5H,6-10,16H2,(H2,17,18,19)
InChIKeyLPADPAXRWHFKFI-UHFFFAOYSA-N
XLogP1.08
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
2-(6-benzyl-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-3-yl)ethanamine
CID 82379502
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
6-[(3-chlorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-2,4-diamine
CID 625687
2-benzyl-5,6-dichloro-3,4-dihydro-1H-benzo[b][1,7]naphthyridine
CID 10569367
4-(7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl)phenol
CID 155345009
2-benzyl-7-methoxy-3,4-dihydro-1H-benzo[b][1,7]naphthyridin-5-amine
CID 10495879
2,7-dibenzyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137286146
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
2-benzyl-5,7-dichloro-3,4-dihydro-1H-isoquinoline
CID 90487760
2-(5-benzyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridin-2-yl)ethanamine
CID 83851705

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine (CID 83870664) is 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is NCc1nc(N)nc2c1CCN(Cc1ccccc1)C2.
What is the InChIKey of 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is LPADPAXRWHFKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c16-8-13-12-6-7-20(9-11-4-2-1-3-5-11)10-14(12)19-15(17)18-13/h1-5H,6-10,16H2,(H2,17,18,19).
What are the key properties of 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine?
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 83870664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).