4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

C17H22N4 — CID 72862236

IUPAC4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cccc(N2CCC(CNc3nccc(C)n3)C2)c1
InChIInChI=1S/C17H22N4/c1-13-4-3-5-16(10-13)21-9-7-15(12-21)11-19-17-18-8-6-14(2)20-17/h3-6,8,10,15H,7,9,11-12H2,1-2H3,(H,18,19,20)
InChIKeyWVNJUXDFAPLALQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.03
Rot. Bonds4

About 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine

4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (PubChem CID 72862236) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
PubChem CID72862236
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
SMILESCc1cccc(N2CCC(CNc3nccc(C)n3)C2)c1
InChIInChI=1S/C17H22N4/c1-13-4-3-5-16(10-13)21-9-7-15(12-21)11-19-17-18-8-6-14(2)20-17/h3-6,8,10,15H,7,9,11-12H2,1-2H3,(H,18,19,20)
InChIKeyWVNJUXDFAPLALQ-UHFFFAOYSA-N
XLogP3.03
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-4-methylpyrimidin-2-amine
CID 62959994
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 125161213
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
N-[[1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-3,6-dimethylpyrazin-2-amine
CID 133468678
4-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylic acid
CID 22135686
3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
N-methyl-1-[(3R)-1-(4-methylpyrimidin-2-yl)pyrrolidin-3-yl]methanamine
CID 169170213
4-methoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzenesulfonamide
CID 110413945
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 91777783
[1-(3-methylphenyl)piperidin-4-yl]methanol
CID 117027926

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine (CID 72862236) is 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is Cc1cccc(N2CCC(CNc3nccc(C)n3)C2)c1.
What is the InChIKey of 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
The InChIKey is WVNJUXDFAPLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-13-4-3-5-16(10-13)21-9-7-15(12-21)11-19-17-18-8-6-14(2)20-17/h3-6,8,10,15H,7,9,11-12H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine?
4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 72862236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).