2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

C19H24N4O — CID 125161213

IUPAC2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)c1
InChIInChI=1S/C19H24N4O/c1-13-5-4-6-17(9-13)23-8-7-16(12-23)11-20-19(24)18-10-14(2)21-15(3)22-18/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyFJERQZRULQHFBR-MRXNPFEDSA-N
MW324.43 g/mol
LogP2.66
Rot. Bonds4

About 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 125161213) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID125161213
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(N2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)c1
InChIInChI=1S/C19H24N4O/c1-13-5-4-6-17(9-13)23-8-7-16(12-23)11-20-19(24)18-10-14(2)21-15(3)22-18/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,20,24)/t16-/m1/s1
InChIKeyFJERQZRULQHFBR-MRXNPFEDSA-N
XLogP2.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640446
6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 91777783
2-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640445
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]propanamide
CID 110640432
6-methyl-N-[[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-4-oxopyran-2-carboxamide
CID 125160463
3,4-dimethoxy-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]benzamide
CID 110640456
N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pentanamide
CID 110413858
4-methyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 72862236
N-[[1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 122136877
N-[[1-(1-cyclopropylpyrrole-2-carbonyl)piperidin-4-yl]methyl]-2,6-dimethylpyrimidine-4-carboxamide
CID 131919994
2,6-dimethyl-N-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidine-4-carboxamide
CID 129340522
2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361413

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 125161213) is 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide is Cc1cccc(N2CC[C@H](CNC(=O)c3cc(C)nc(C)n3)C2)c1.
What is the InChIKey of 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is FJERQZRULQHFBR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-5-4-6-17(9-13)23-8-7-16(12-23)11-20-19(24)18-10-14(2)21-15(3)22-18/h4-6,9-10,16H,7-8,11-12H2,1-3H3,(H,20,24)/t16-/m1/s1.
What are the key properties of 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-N-[[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 125161213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).