2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C20H16N4 — CID 46172986

IUPAC2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ccnc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C20H16N4/c1-2-6-17-12-18(8-7-16(17)5-1)20-22-11-9-19(24-20)23-14-15-4-3-10-21-13-15/h1-13H,14H2,(H,22,23,24)
InChIKeyOGJWQVQYKAIFSM-UHFFFAOYSA-N
MW312.38 g/mol
LogP4.30
Rot. Bonds4

About 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 46172986) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID46172986
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESc1cncc(CNc2ccnc(-c3ccc4ccccc4c3)n2)c1
InChIInChI=1S/C20H16N4/c1-2-6-17-12-18(8-7-16(17)5-1)20-22-11-9-19(24-20)23-14-15-4-3-10-21-13-15/h1-13H,14H2,(H,22,23,24)
InChIKeyOGJWQVQYKAIFSM-UHFFFAOYSA-N
XLogP4.30
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-pyridin-3-ylpyrimidin-4-amine
CID 44820593
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409
6-N-benzyl-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881219
N-benzyl-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233960
2-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80944833
6-N-[(4-methylphenyl)methyl]-2-phenyl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112881246
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 3232817
4-N-[(3-methylphenyl)methyl]-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889977
2-N-(4-phenoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893518
2-N,3-N-bis(pyridin-3-ylmethyl)benzo[g]quinoxaline-2,3-diamine
CID 70165419
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-N-(2-propan-2-ylphenyl)-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112893465

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 46172986) is 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is c1cncc(CNc2ccnc(-c3ccc4ccccc4c3)n2)c1.
What is the InChIKey of 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is OGJWQVQYKAIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4/c1-2-6-17-12-18(8-7-16(17)5-1)20-22-11-9-19(24-20)23-14-15-4-3-10-21-13-15/h1-13H,14H2,(H,22,23,24).
What are the key properties of 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 312.38 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 46172986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).