4-naphthalen-2-yl-N-phenylpyrimidin-2-amine

C20H15N3 — CID 66493679

IUPAC4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H15N3/c1-2-8-18(9-3-1)22-20-21-13-12-19(23-20)17-11-10-15-6-4-5-7-16(15)14-17/h1-14H,(H,21,22,23)
InChIKeyOQOHFTJQXHJMGL-UHFFFAOYSA-N
MW297.36 g/mol
LogP5.04
Rot. Bonds3

About 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine

4-naphthalen-2-yl-N-phenylpyrimidin-2-amine (PubChem CID 66493679) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine.

Molecular Properties

Compound Name4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
PubChem CID66493679
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name4-naphthalen-2-yl-N-phenylpyrimidin-2-amine
SMILESc1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C20H15N3/c1-2-8-18(9-3-1)22-20-21-13-12-19(23-20)17-11-10-15-6-4-5-7-16(15)14-17/h1-14H,(H,21,22,23)
InChIKeyOQOHFTJQXHJMGL-UHFFFAOYSA-N
XLogP5.04
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.36
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-fluorophenyl)-N-phenylpyrimidin-2-amine
CID 104609469
N-phenyl-4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 57446828
4-(2-morpholin-4-yl-4-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71458570
N-(3-methylphenyl)-4-phenylpyrimidin-2-amine
CID 20772097
4-(2-anilinopyrimidin-4-yl)-N-phenylbenzamide
CID 10090314
4-(4-chloro-2-pyridinyl)-N-phenylpyrimidin-2-amine
CID 71233786
3-N-[4-(3-aminophenyl)pyrimidin-2-yl]benzene-1,3-diamine
CID 11492825
N-phenyl-4-pyridin-3-ylpyrimidin-2-amine;sulfuric acid
CID 14346982
4-(1-methylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
CID 104609504
N-[4-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]naphthalene-2-carboxamide
CID 11625869
4-[4-(ethylamino)phenyl]-N-(4-phenoxyphenyl)pyrimidin-2-amine
CID 143521008
2-chloro-4-naphthalen-2-ylpyrimidine;ethane
CID 90837684

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine?
The IUPAC name of 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine (CID 66493679) is 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine.
What is the SMILES notation for 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine?
The canonical SMILES for 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine is c1ccc(Nc2nccc(-c3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine?
The InChIKey is OQOHFTJQXHJMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c1-2-8-18(9-3-1)22-20-21-13-12-19(23-20)17-11-10-15-6-4-5-7-16(15)14-17/h1-14H,(H,21,22,23).
What are the key properties of 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine?
4-naphthalen-2-yl-N-phenylpyrimidin-2-amine has a molecular weight of 297.36 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 66493679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).