5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

C13H13BrCl2N4 — CID 79779927

IUPAC5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ncc(Cl)cc2Cl)nc(C(C)C)c1Br
InChIInChI=1S/C13H13BrCl2N4/c1-6(2)10-9(14)12(17-3)20-13(19-10)11-8(16)4-7(15)5-18-11/h4-6H,1-3H3,(H,17,19,20)
InChIKeyQGFYGOCXEYBXHO-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.77
Rot. Bonds3

About 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine

5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 79779927) has the molecular formula C13H13BrCl2N4 and a molecular weight of 376.09 g/mol. Its IUPAC name is 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID79779927
Molecular FormulaC13H13BrCl2N4
Molecular Weight376.09 g/mol
Exact Mass373.97
IUPAC Name5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(-c2ncc(Cl)cc2Cl)nc(C(C)C)c1Br
InChIInChI=1S/C13H13BrCl2N4/c1-6(2)10-9(14)12(17-3)20-13(19-10)11-8(16)4-7(15)5-18-11/h4-6H,1-3H3,(H,17,19,20)
InChIKeyQGFYGOCXEYBXHO-UHFFFAOYSA-N
XLogP4.77
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-6-pyridin-2-ylpyrimidin-4-amine
CID 3395869
N-benzyl-5-chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 23767908
5-chloro-N-(cyclohexylmethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 25212176
5-chloro-N-(2-cyclohexylethyl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591349
5-chloro-N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591371
5-chloro-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591390
6-chloro-2-cyclopropyl-5-methyl-N-[(6-methyl-3-pyridinyl)methyl]pyrimidin-4-amine
CID 80971568
US10323029, Generic formula 52761
CID 130288495
4-Chloro-6-methyl-2-(pyridin-2-yl)pyrimidine
CID 2763395
5-chloro-N,6-dimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2740170
5-Chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2740172
5-chloro-N,N,6-trimethyl-2-pyridin-2-ylpyrimidin-4-amine
CID 4403732

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine (CID 79779927) is 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is CNc1nc(-c2ncc(Cl)cc2Cl)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is QGFYGOCXEYBXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrCl2N4/c1-6(2)10-9(14)12(17-3)20-13(19-10)11-8(16)4-7(15)5-18-11/h4-6H,1-3H3,(H,17,19,20).
What are the key properties of 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine?
5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 376.09 g/mol, XLogP of 4.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3,5-dichloro-2-pyridinyl)-N-methyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79779927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).