N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine

C13H14BrN3 — CID 10062901

IUPACN-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3/c1-9-8-10(2)16-13(15-9)17(3)12-7-5-4-6-11(12)14/h4-8H,1-3H3
InChIKeyVDPKEDUBRRLWNO-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.62
Rot. Bonds2

About N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine

N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine (PubChem CID 10062901) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
PubChem CID10062901
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC NameN-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine
SMILESCc1cc(C)nc(N(C)c2ccccc2Br)n1
InChIInChI=1S/C13H14BrN3/c1-9-8-10(2)16-13(15-9)17(3)12-7-5-4-6-11(12)14/h4-8H,1-3H3
InChIKeyVDPKEDUBRRLWNO-UHFFFAOYSA-N
XLogP3.62
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-N-methylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 115123702
N-(2-bromo-4-propan-2-ylphenyl)-N,4,6-trimethylpyrimidin-2-amine
CID 10616689
N-[2-bromo-4-(trifluoromethyl)phenyl]-N,4,6-trimethylpyrimidin-2-amine
CID 18323826
N-(2-bromophenyl)-4,6-dimethyl-N-prop-2-enylpyrimidin-2-amine
CID 18323714
2-(2-cyano-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107543256
2-(2-methoxy-N-methylanilino)-6-methylpyrimidine-4-carbonitrile
CID 107544248
2-[[4,6-bis(2-hydroxy-N-methylanilino)-1,3,5-triazin-2-yl]-methylamino]phenol
CID 58059753
N-(2-bromophenyl)-N-methylhydroxylamine
CID 58554811
4-(aminomethyl)-N-[(2-bromophenyl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541717
3-N-(4,6-dimethylpyrimidin-2-yl)-1-N,3-N-dimethylbenzene-1,3-diamine
CID 117044722
N-(2-iodophenyl)-4,6-dimethyl-N-phenylpyrimidin-2-amine
CID 165179719
2-bromo-N-methyl-N-propan-2-ylaniline
CID 53401387

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
The IUPAC name of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine (CID 10062901) is N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
The canonical SMILES for N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine is Cc1cc(C)nc(N(C)c2ccccc2Br)n1.
What is the InChIKey of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
The InChIKey is VDPKEDUBRRLWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-9-8-10(2)16-13(15-9)17(3)12-7-5-4-6-11(12)14/h4-8H,1-3H3.
What are the key properties of N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine?
N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-N,4,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 10062901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).