1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine

C12H11BrClN3 — CID 113337352

IUPAC1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccc(Cl)c(Br)c2)nc1
InChIInChI=1S/C12H11BrClN3/c1-15-5-8-6-16-12(17-7-8)9-2-3-11(14)10(13)4-9/h2-4,6-7,15H,5H2,1H3
InChIKeyDCFUYFUSGMEKMW-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.28
Rot. Bonds3

About 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine

1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine (PubChem CID 113337352) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
PubChem CID113337352
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
SMILESCNCc1cnc(-c2ccc(Cl)c(Br)c2)nc1
InChIInChI=1S/C12H11BrClN3/c1-15-5-8-6-16-12(17-7-8)9-2-3-11(14)10(13)4-9/h2-4,6-7,15H,5H2,1H3
InChIKeyDCFUYFUSGMEKMW-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-bromo-4-methylphenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 107915562
1-[2-(3-bromo-4-fluorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 82802968
N-[[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 115568435
1-[2-(3-bromophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62755501
1-(3-bromo-4-chlorophenyl)-N-methylmethanamine
CID 75355471
1-[2-(4-bromo-3,5-dimethylphenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 114331093
2-(3-bromo-4-chlorophenyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206197
1-[2-(2-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine
CID 62756584
1-[2-(3,5-dibromo-2-pyridinyl)pyrimidin-5-yl]-N-methylmethanamine
CID 113398724
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
1-[2-(3-bromo-4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 115568387
N-[[2-(3-bromo-4-methoxyphenyl)pyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 106951230

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine (CID 113337352) is 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine is CNCc1cnc(-c2ccc(Cl)c(Br)c2)nc1.
What is the InChIKey of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
The InChIKey is DCFUYFUSGMEKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-15-5-8-6-16-12(17-7-8)9-2-3-11(14)10(13)4-9/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine?
1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine has a molecular weight of 312.60 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromo-4-chlorophenyl)pyrimidin-5-yl]-N-methylmethanamine is sourced from PubChem (CID 113337352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).