N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

C17H21BrN4 — CID 112885211

IUPACN-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(N3CCC(C)CC3)n2)ccc1Br
InChIInChI=1S/C17H21BrN4/c1-12-6-9-22(10-7-12)16-5-8-19-17(21-16)20-14-3-4-15(18)13(2)11-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyAVVLDPPNZJVERP-UHFFFAOYSA-N
MW361.29 g/mol
LogP4.53
Rot. Bonds3

About N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine

N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (PubChem CID 112885211) has the molecular formula C17H21BrN4 and a molecular weight of 361.29 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
PubChem CID112885211
Molecular FormulaC17H21BrN4
Molecular Weight361.29 g/mol
Exact Mass360.09
IUPAC NameN-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(N3CCC(C)CC3)n2)ccc1Br
InChIInChI=1S/C17H21BrN4/c1-12-6-9-22(10-7-12)16-5-8-19-17(21-16)20-14-3-4-15(18)13(2)11-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,20,21)
InChIKeyAVVLDPPNZJVERP-UHFFFAOYSA-N
XLogP4.53
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885157
[2-(4-bromo-3-methylanilino)pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109312841
N-(4-bromo-3-methylphenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-amine
CID 112902378
N-(3,4-dimethylphenyl)-5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-amine
CID 112942648
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-(azepan-1-yl)-N-(3,5-dimethylphenyl)pyrimidin-2-amine
CID 112901537
N-[(2-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885068
N-(2-bromo-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112901071
2-N-(3-methylphenyl)-4-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-2,4-diamine
CID 112901921
N-[(4-methylphenyl)methyl]-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112885070
N-(3-chloro-4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112896430
4-(azepan-1-yl)-N-(4-bromophenyl)pyrimidin-2-amine
CID 112901564

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine (CID 112885211) is N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is Cc1cc(Nc2nccc(N3CCC(C)CC3)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
The InChIKey is AVVLDPPNZJVERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4/c1-12-6-9-22(10-7-12)16-5-8-19-17(21-16)20-14-3-4-15(18)13(2)11-14/h3-5,8,11-12H,6-7,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine?
N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine has a molecular weight of 361.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112885211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).