N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine

C17H21ClN4 — CID 171995913

IUPACN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3cccc(Cl)c3)C2)ncn1
InChIInChI=1S/C17H21ClN4/c1-13-8-17(20-12-19-13)21(2)16-6-7-22(11-16)10-14-4-3-5-15(18)9-14/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeySZXGRQSXYFFFJV-UHFFFAOYSA-N
MW316.84 g/mol
LogP3.15
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine

N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 171995913) has the molecular formula C17H21ClN4 and a molecular weight of 316.84 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID171995913
Molecular FormulaC17H21ClN4
Molecular Weight316.84 g/mol
Exact Mass316.15
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3cccc(Cl)c3)C2)ncn1
InChIInChI=1S/C17H21ClN4/c1-13-8-17(20-12-19-13)21(2)16-6-7-22(11-16)10-14-4-3-5-15(18)9-14/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3
InChIKeySZXGRQSXYFFFJV-UHFFFAOYSA-N
XLogP3.15
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
4-N-[1-[(3-bromophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998623
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
CID 155976215
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963
4-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidin-3-yl]-4-N,6-N,6-N-trimethylpyrimidine-4,6-diamine
CID 171998496
2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 172892296
N,6-dimethyl-N-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889406
N,6-dimethyl-N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]pyrimidin-4-amine
CID 126889450
N-(1-benzylpiperidin-3-yl)-N,6-dimethylpyridin-2-amine
CID 133483749

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine (CID 171995913) is N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3cccc(Cl)c3)C2)ncn1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is SZXGRQSXYFFFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4/c1-13-8-17(20-12-19-13)21(2)16-6-7-22(11-16)10-14-4-3-5-15(18)9-14/h3-5,8-9,12,16H,6-7,10-11H2,1-2H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 316.84 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 171995913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).