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

C15H17BrClN3O — CID 106819726

IUPAC5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2OC)nc(C(C)C)c1Br
InChIInChI=1S/C15H17BrClN3O/c1-8(2)13-12(16)15(18-3)20-14(19-13)10-6-5-9(17)7-11(10)21-4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyNLCYRKWQGIISSZ-UHFFFAOYSA-N
MW370.68 g/mol
LogP4.73
Rot. Bonds4

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

5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 106819726) has the molecular formula C15H17BrClN3O and a molecular weight of 370.68 g/mol. Its IUPAC name is 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID106819726
Molecular FormulaC15H17BrClN3O
Molecular Weight370.68 g/mol
Exact Mass369.02
IUPAC Name5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ccc(Cl)cc2OC)nc(C(C)C)c1Br
InChIInChI=1S/C15H17BrClN3O/c1-8(2)13-12(16)15(18-3)20-14(19-13)10-6-5-9(17)7-11(10)21-4/h5-8H,1-4H3,(H,18,19,20)
InChIKeyNLCYRKWQGIISSZ-UHFFFAOYSA-N
XLogP4.73
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.68
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methoxyphenyl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 106819693
4-chloro-2-(4-chloro-2-methoxyphenyl)-5-iodo-6-propan-2-ylpyrimidine
CID 106819152
5-bromo-2-(4-chloro-2-methoxyphenyl)-6-methyl-N-propylpyrimidin-4-amine
CID 106819708
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 79779927
5-bromo-2-(6-methoxy-3-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 114938397
5-bromo-4-chloro-2-(2,5-dimethoxyphenyl)-6-propan-2-ylpyrimidine
CID 66313822
5-bromo-N-methyl-2-(3-methylphenyl)-6-propan-2-ylpyrimidin-4-amine
CID 66299903
5-bromo-2-[3-(methoxymethyl)phenyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66296011
5-bromo-2-[(2-methoxyphenyl)methyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299705
5-bromo-4-chloro-2-(4-chloro-2-methoxyphenyl)-6-cyclopropylpyrimidine
CID 106819162
3-bromo-1-(4-chloro-2-methoxyphenyl)-2-fluoro-4-methylbenzene
CID 156561283
N-[[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine
CID 106818714

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 106819726) is 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2ccc(Cl)cc2OC)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is NLCYRKWQGIISSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClN3O/c1-8(2)13-12(16)15(18-3)20-14(19-13)10-6-5-9(17)7-11(10)21-4/h5-8H,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 370.68 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-chloro-2-methoxyphenyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 106819726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).