N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine

C17H17N5 — CID 135390576

IUPACN-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine
SMILESCC1(Nc2cc(-c3ccncn3)nc3cnccc23)CCC1
InChIInChI=1S/C17H17N5/c1-17(5-2-6-17)22-14-9-15(13-4-8-19-11-20-13)21-16-10-18-7-3-12(14)16/h3-4,7-11H,2,5-6H2,1H3,(H,21,22)
InChIKeyXDCZJBKBUHYSNO-UHFFFAOYSA-N
MW291.36 g/mol
LogP3.44
Rot. Bonds3

About N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine

N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine (PubChem CID 135390576) has the molecular formula C17H17N5 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine
PubChem CID135390576
Molecular FormulaC17H17N5
Molecular Weight291.36 g/mol
Exact Mass291.15
IUPAC NameN-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine
SMILESCC1(Nc2cc(-c3ccncn3)nc3cnccc23)CCC1
InChIInChI=1S/C17H17N5/c1-17(5-2-6-17)22-14-9-15(13-4-8-19-11-20-13)21-16-10-18-7-3-12(14)16/h3-4,7-11H,2,5-6H2,1H3,(H,21,22)
InChIKeyXDCZJBKBUHYSNO-UHFFFAOYSA-N
XLogP3.44
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylcyclobutyl)-8-nitroisoquinolin-5-amine
CID 115765390
N-cyclopentyl-2-pyridin-4-yl-1,7-naphthyridin-4-amine
CID 135368333
2-(1H-imidazol-5-yl)-N-(1-methylcyclopropyl)pyrido[3,4-d]pyrimidin-4-amine
CID 135390677
N-(1-methylcyclopropyl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 135368330
3-(2-pyrimidin-4-ylpyrido[3,4-d]pyrimidin-4-yl)butane-1,3-diamine
CID 159891582
N-(1-methylcyclopropyl)-2-(1,3-oxazol-5-yl)pyrido[3,4-d]pyrimidin-4-amine
CID 135368048
N,2-dimethyl-1,7-naphthyridin-4-amine;ethane
CID 142126179
pyrrolo[3,2-d][1,3]diazepine
CID 70359339
3-methyl-2-pyrimidin-4-ylfuro[2,3-c]pyridine
CID 71206428
2-methyl-4-pyrimidin-4-ylpyrimidine
CID 54062248
3-N-(1-methylcyclopentyl)pyridine-2,3-diamine
CID 104540031
N-(1-methylcyclopentyl)-5-nitroquinolin-6-amine
CID 61366971

Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine?
The IUPAC name of N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine (CID 135390576) is N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine?
The canonical SMILES for N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine is CC1(Nc2cc(-c3ccncn3)nc3cnccc23)CCC1.
What is the InChIKey of N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine?
The InChIKey is XDCZJBKBUHYSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5/c1-17(5-2-6-17)22-14-9-15(13-4-8-19-11-20-13)21-16-10-18-7-3-12(14)16/h3-4,7-11H,2,5-6H2,1H3,(H,21,22).
What are the key properties of N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine?
N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine has a molecular weight of 291.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclobutyl)-2-pyrimidin-4-yl-1,7-naphthyridin-4-amine is sourced from PubChem (CID 135390576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).