N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C16H19BrN4 — CID 112909346

IUPACN-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H19BrN4/c1-11-5-6-13(10-14(11)17)19-16-18-12(2)9-15(20-16)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyNXSDNZKEEXEDMZ-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.20
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112909346) has the molecular formula C16H19BrN4 and a molecular weight of 347.26 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112909346
Molecular FormulaC16H19BrN4
Molecular Weight347.26 g/mol
Exact Mass346.08
IUPAC NameN-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(C)c(Br)c2)n1
InChIInChI=1S/C16H19BrN4/c1-11-5-6-13(10-14(11)17)19-16-18-12(2)9-15(20-16)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20)
InChIKeyNXSDNZKEEXEDMZ-UHFFFAOYSA-N
XLogP4.20
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(azepan-1-yl)-N-(3,4-dichlorophenyl)-6-methylpyrimidin-2-amine
CID 112926654
N-(4-tert-butylphenyl)-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910070
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909317
3,4-dimethyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide
CID 27510286
5-bromo-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 27478387
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(3,4-dimethylphenyl)-4-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923972
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methyl-6-piperidin-1-ylpyrimidin-2-amine
CID 112910130
1-[3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]ethanone
CID 112910099
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
4-fluoro-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 27478347
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112909346) is N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is Cc1cc(N2CCCC2)nc(Nc2ccc(C)c(Br)c2)n1.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is NXSDNZKEEXEDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4/c1-11-5-6-13(10-14(11)17)19-16-18-12(2)9-15(20-16)21-7-3-4-8-21/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 347.26 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112909346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).