N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine

C14H15BrClN3O — CID 82859794

IUPACN-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc(Cl)c2C(C)C)ccc1Br
InChIInChI=1S/C14H15BrClN3O/c1-8(2)12-13(16)17-7-18-14(12)19-9-4-5-10(15)11(6-9)20-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyOXNGLHYVRNAPTP-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.77
Rot. Bonds4

About N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine

N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine (PubChem CID 82859794) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
PubChem CID82859794
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC NameN-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc(Cl)c2C(C)C)ccc1Br
InChIInChI=1S/C14H15BrClN3O/c1-8(2)12-13(16)17-7-18-14(12)19-9-4-5-10(15)11(6-9)20-3/h4-8H,1-3H3,(H,17,18,19)
InChIKeyOXNGLHYVRNAPTP-UHFFFAOYSA-N
XLogP4.77
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-4-methylphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine
CID 63730041
6-chloro-N-(3,4-dimethylphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63735586
4-N-(4-chloro-3-methoxyphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 107623592
5-bromo-6-chloro-N-(3,4-dimethoxyphenyl)pyrimidin-4-amine
CID 114071661
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
6-chloro-5-propan-2-yl-N-(3,4,5-trifluorophenyl)pyrimidin-4-amine
CID 63730185
4-N-(4-bromo-3-methoxyphenyl)-6-N-methylpyrimidine-4,6-diamine
CID 82861687
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
4-N-(4-bromo-3-methoxyphenyl)benzene-1,4-diamine
CID 82857790
4-N-(4-bromo-3-methoxyphenyl)-5-chloro-2-N-ethylpyrimidine-2,4-diamine
CID 82862437
6-chloro-N-(3,4-dimethoxyphenyl)-5-nitropyrimidin-4-amine
CID 62101180
6-chloro-N-(2-methoxypropyl)-5-propan-2-ylpyrimidin-4-amine
CID 102699925

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine (CID 82859794) is N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine is COc1cc(Nc2ncnc(Cl)c2C(C)C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
The InChIKey is OXNGLHYVRNAPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-8(2)12-13(16)17-7-18-14(12)19-9-4-5-10(15)11(6-9)20-3/h4-8H,1-3H3,(H,17,18,19).
What are the key properties of N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine?
N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine has a molecular weight of 356.65 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methoxyphenyl)-6-chloro-5-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82859794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).