N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine

C12H11BrClN3 — CID 62475587

IUPACN-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc(Br)cc2)nc(Cl)n1
InChIInChI=1S/C12H11BrClN3/c1-8-6-11(17-12(14)16-8)15-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyWMOVPWRKSAYFJL-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.81
Rot. Bonds3

About N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine

N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine (PubChem CID 62475587) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
PubChem CID62475587
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC NameN-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine
SMILESCc1cc(NCc2ccc(Br)cc2)nc(Cl)n1
InChIInChI=1S/C12H11BrClN3/c1-8-6-11(17-12(14)16-8)15-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,15,16,17)
InChIKeyWMOVPWRKSAYFJL-UHFFFAOYSA-N
XLogP3.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-6-methyl-N-[[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]phenyl]methyl]pyrimidin-4-amine
CID 108775751
2-[[(2-chloro-6-methylpyrimidin-4-yl)amino]methyl]phenol
CID 53250725
2-chloro-6-methyl-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 62482411
2-N-[(4-bromophenyl)methyl]-6-chloro-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80754839
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397
N-[(4-bromophenyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 66325047
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
4-[[(2,6-dimethylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 47267638
4-N-[(4-chlorophenyl)methyl]-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918009
2-chloro-N-[2-(4-methoxyphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 62476087
4-N-(4-bromophenyl)-2-methyl-6-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112871986
4-N-(4-bromophenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919960

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine?
The IUPAC name of N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine (CID 62475587) is N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine is Cc1cc(NCc2ccc(Br)cc2)nc(Cl)n1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine?
The InChIKey is WMOVPWRKSAYFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-8-6-11(17-12(14)16-8)15-7-9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,15,16,17).
What are the key properties of N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine?
N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine has a molecular weight of 312.60 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-2-chloro-6-methylpyrimidin-4-amine is sourced from PubChem (CID 62475587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).