2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile

C16H11BrN4 — CID 107544919

IUPAC2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H11BrN4/c1-10-6-15(9-18)21-16(19-10)20-14-5-3-11-7-13(17)4-2-12(11)8-14/h2-8H,1H3,(H,19,20,21)
InChIKeyTVNYMJVOTIRJEI-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.32
Rot. Bonds2

About 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile

2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (PubChem CID 107544919) has the molecular formula C16H11BrN4 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.

Molecular Properties

Compound Name2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
PubChem CID107544919
Molecular FormulaC16H11BrN4
Molecular Weight339.20 g/mol
Exact Mass338.02
IUPAC Name2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile
SMILESCc1cc(C#N)nc(Nc2ccc3cc(Br)ccc3c2)n1
InChIInChI=1S/C16H11BrN4/c1-10-6-15(9-18)21-16(19-10)20-14-5-3-11-7-13(17)4-2-12(11)8-14/h2-8H,1H3,(H,19,20,21)
InChIKeyTVNYMJVOTIRJEI-UHFFFAOYSA-N
XLogP4.32
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromoanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543940
2-(3-methoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383534
2-(3,5-dimethoxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543373
2-(3-butan-2-yloxyanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544314
2-(2-bromo-4-chloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544921
2-[(6-ethoxy-3-pyridinyl)amino]-6-methylpyrimidine-4-carbonitrile
CID 107544878
2-(2-bromo-3-chloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 107545453
2-[3-chloro-5-(trifluoromethyl)anilino]-6-methylpyrimidine-4-carbonitrile
CID 107545343
2-(2,3-dichloroanilino)-6-methylpyrimidine-4-carbonitrile
CID 110383586
4-[[4-(6-bromonaphthalen-2-yl)oxypyrimidin-2-yl]amino]benzonitrile
CID 25115206
6-methyl-2-[2-(trifluoromethyl)anilino]pyrimidine-4-carbonitrile
CID 110383544
N-(6-bromonaphthalen-2-yl)-6-chloro-2-methylpyrimidin-4-amine
CID 81259369

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The IUPAC name of 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile (CID 107544919) is 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile.
What is the SMILES notation for 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The canonical SMILES for 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is Cc1cc(C#N)nc(Nc2ccc3cc(Br)ccc3c2)n1.
What is the InChIKey of 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
The InChIKey is TVNYMJVOTIRJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrN4/c1-10-6-15(9-18)21-16(19-10)20-14-5-3-11-7-13(17)4-2-12(11)8-14/h2-8H,1H3,(H,19,20,21).
What are the key properties of 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile?
2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile has a molecular weight of 339.20 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-bromonaphthalen-2-yl)amino]-6-methylpyrimidine-4-carbonitrile is sourced from PubChem (CID 107544919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).