6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile

C15H10N4 — CID 116862729

IUPAC6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(N)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H10N4/c16-9-11-8-14(17)19-15(18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,(H2,17,18,19)
InChIKeyXOWPRXBWBFNKER-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.75
Rot. Bonds1

About 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile

6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile (PubChem CID 116862729) has the molecular formula C15H10N4 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
PubChem CID116862729
Molecular FormulaC15H10N4
Molecular Weight246.27 g/mol
Exact Mass246.09
IUPAC Name6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile
SMILESN#Cc1cc(N)nc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H10N4/c16-9-11-8-14(17)19-15(18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,(H2,17,18,19)
InChIKeyXOWPRXBWBFNKER-UHFFFAOYSA-N
XLogP2.75
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-naphthalen-1-yl-6-propan-2-ylpyrimidin-4-amine
CID 62203179
6-tert-butyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 62203346
6-amino-2-naphthalen-2-ylpyrimidine-4-carbonitrile
CID 116862730
6-amino-2-(3-methylphenyl)pyrimidine-4-carbonitrile
CID 116862707
2-naphthalen-1-yl-4,6-bis(4-naphthalen-1-ylphenyl)pyrimidine
CID 129265535
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-[3-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]benzonitrile
CID 169296947
6,7-dimethyl-3-naphthalen-1-ylnaphthalene-2-carbonitrile
CID 102235920
2-(2,6-diamino-4-pyridinyl)benzonitrile
CID 22629705
2-naphthalen-1-yl-4-(5-naphthalen-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 168731887
4-[2-[5-[4-(4-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448003
2-[2-[5-[4-(2-cyanophenyl)-6-phenylpyrimidin-2-yl]naphthalen-1-yl]-6-phenylpyrimidin-4-yl]benzonitrile
CID 122448036
3-naphthalen-1-ylpyridine-4-carbonitrile
CID 45123369

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile?
The IUPAC name of 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile (CID 116862729) is 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile?
The canonical SMILES for 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile is N#Cc1cc(N)nc(-c2cccc3ccccc23)n1.
What is the InChIKey of 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile?
The InChIKey is XOWPRXBWBFNKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4/c16-9-11-8-14(17)19-15(18-11)13-7-3-5-10-4-1-2-6-12(10)13/h1-8H,(H2,17,18,19).
What are the key properties of 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile?
6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 2.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-naphthalen-1-ylpyrimidine-4-carbonitrile is sourced from PubChem (CID 116862729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).