N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine

C17H22N4 — CID 112909317

IUPACN-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nc(C)cc(N3CCCC3)n2)c1
InChIInChI=1S/C17H22N4/c1-12-6-7-13(2)15(10-12)19-17-18-14(3)11-16(20-17)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,20)
InChIKeyFZCHWFHKJBFVMF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.75
Rot. Bonds3

About N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine

N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (PubChem CID 112909317) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
PubChem CID112909317
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
SMILESCc1ccc(C)c(Nc2nc(C)cc(N3CCCC3)n2)c1
InChIInChI=1S/C17H22N4/c1-12-6-7-13(2)15(10-12)19-17-18-14(3)11-16(20-17)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,20)
InChIKeyFZCHWFHKJBFVMF-UHFFFAOYSA-N
XLogP3.75
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-4-(4-ethylpiperazin-1-yl)-6-methylpyrimidin-2-amine
CID 112914202
N-(2,5-dimethylphenyl)-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923847
4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112920337
N-(4-chloro-2-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909339
4-(azepan-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112926580
N-(3-bromo-4-methylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112909346
4-N-(2,5-dimethylphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57397799
4-(azepan-1-yl)-6-methyl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112926668
4-methyl-6-piperidin-1-yl-N-(2,3,4-trifluorophenyl)pyrimidin-2-amine
CID 112910147
azepan-1-yl-[2-(2,5-dimethylanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334442
N-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The IUPAC name of N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine (CID 112909317) is N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine.
What is the SMILES notation for N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The canonical SMILES for N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is Cc1ccc(C)c(Nc2nc(C)cc(N3CCCC3)n2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
The InChIKey is FZCHWFHKJBFVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-12-6-7-13(2)15(10-12)19-17-18-14(3)11-16(20-17)21-8-4-5-9-21/h6-7,10-11H,4-5,8-9H2,1-3H3,(H,18,19,20).
What are the key properties of N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine?
N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-4-methyl-6-pyrrolidin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 112909317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).