N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine

C16H20N4 — CID 116977522

IUPACN-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCc1cccc(-c2cnc(N(C)C3CCNC3)nc2)c1
InChIInChI=1S/C16H20N4/c1-12-4-3-5-13(8-12)14-9-18-16(19-10-14)20(2)15-6-7-17-11-15/h3-5,8-10,15,17H,6-7,11H2,1-2H3
InChIKeyGGSOABLWKPDHKF-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine

N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine (PubChem CID 116977522) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
PubChem CID116977522
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC NameN-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine
SMILESCc1cccc(-c2cnc(N(C)C3CCNC3)nc2)c1
InChIInChI=1S/C16H20N4/c1-12-4-3-5-13(8-12)14-9-18-16(19-10-14)20(2)15-6-7-17-11-15/h3-5,8-10,15,17H,6-7,11H2,1-2H3
InChIKeyGGSOABLWKPDHKF-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-5-(1H-pyrrol-3-yl)pyrimidin-2-amine
CID 116977519
N,5-dimethyl-N-piperidin-4-ylpyrimidin-2-amine;dihydrochloride
CID 171700739
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
N-(2,4-dimethylphenyl)-N-methylpyrrolidin-3-amine
CID 78989080
N-methyl-2-[2-(3-methylphenyl)-1,3-thiazol-4-yl]-N-pyrrolidin-3-ylacetamide;dihydrochloride
CID 119554455
methyl-[5-(3-methylphenyl)pyrimidin-2-yl]cyanamide
CID 116977880
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
N-methyl-N-[(3R)-pyrrolidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71641013
N,5-dimethyl-N-pyrrolidin-3-yl-1H-imidazol-2-amine
CID 106552565
4-chloro-N,6-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyrimidin-2-amine
CID 71640963
5-ethyl-N-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 116977534

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The IUPAC name of N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine (CID 116977522) is N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine is Cc1cccc(-c2cnc(N(C)C3CCNC3)nc2)c1.
What is the InChIKey of N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
The InChIKey is GGSOABLWKPDHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-4-3-5-13(8-12)14-9-18-16(19-10-14)20(2)15-6-7-17-11-15/h3-5,8-10,15,17H,6-7,11H2,1-2H3.
What are the key properties of N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine?
N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine has a molecular weight of 268.36 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(3-methylphenyl)-N-pyrrolidin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 116977522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).