N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

C17H22N4 — CID 112909437

IUPACN-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-14-12-16(19-17(18-14)21-10-6-7-11-21)20(2)13-15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3
InChIKeyJVFDQRIIHGSWMN-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.02
Rot. Bonds4

About N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine

N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine (PubChem CID 112909437) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
PubChem CID112909437
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(N2CCCC2)n1
InChIInChI=1S/C17H22N4/c1-14-12-16(19-17(18-14)21-10-6-7-11-21)20(2)13-15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3
InChIKeyJVFDQRIIHGSWMN-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N,6-dimethyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112916943
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
N,6-dimethyl-N-(2-pyridin-4-ylethyl)-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909455
N-benzyl-N,4,6-trimethylpyrimidin-2-amine
CID 734467
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
CID 62477780
N-benzyl-6-methyl-2-(4-methylpiperazin-1-yl)-N-propan-2-ylpyrimidin-4-amine
CID 112914008
2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133
N-benzyl-N,6-dimethyl-2-phenylpyrimidin-4-amine
CID 746584
N-benzyl-6-methyl-2-morpholin-4-yl-N-propan-2-ylpyrimidin-4-amine
CID 112912293
N,N-diethyl-6-methyl-2-pyrrolidin-1-ylpyrimidin-4-amine
CID 112909479
N-benzyl-N,2-dimethyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112872203

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The IUPAC name of N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine (CID 112909437) is N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine is Cc1cc(N(C)Cc2ccccc2)nc(N2CCCC2)n1.
What is the InChIKey of N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
The InChIKey is JVFDQRIIHGSWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-14-12-16(19-17(18-14)21-10-6-7-11-21)20(2)13-15-8-4-3-5-9-15/h3-5,8-9,12H,6-7,10-11,13H2,1-2H3.
What are the key properties of N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine?
N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N,6-dimethyl-2-pyrrolidin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 112909437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).