(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide

C12H18N4O — CID 95839552

IUPAC(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CC[C@@H](C(=O)N(C)C)C2)ncn1
InChIInChI=1S/C12H18N4O/c1-9-6-11(14-8-13-9)16-5-4-10(7-16)12(17)15(2)3/h6,8,10H,4-5,7H2,1-3H3/t10-/m1/s1
InChIKeySRHWYWOEAXCFBW-SNVBAGLBSA-N
MW234.30 g/mol
LogP0.70
Rot. Bonds2

About (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide

(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 95839552) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID95839552
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
SMILESCc1cc(N2CC[C@@H](C(=O)N(C)C)C2)ncn1
InChIInChI=1S/C12H18N4O/c1-9-6-11(14-8-13-9)16-5-4-10(7-16)12(17)15(2)3/h6,8,10H,4-5,7H2,1-3H3/t10-/m1/s1
InChIKeySRHWYWOEAXCFBW-SNVBAGLBSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839551
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
(4,4-difluoropiperidin-1-yl)-[1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methanone
CID 165434671
N-methyl-N-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 133305493
4-(4-chloropiperidin-1-yl)-6-methylpyrimidine
CID 63388301
(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 84590457
1-(5-bromo-3-methyl-2-pyridinyl)-N,N-dimethylpyrrolidine-3-carboxamide
CID 171704130
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methanol
CID 61225123
2-methyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 79371902

Frequently Asked Questions

What is the IUPAC name of (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide (CID 95839552) is (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide is Cc1cc(N2CC[C@@H](C(=O)N(C)C)C2)ncn1.
What is the InChIKey of (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is SRHWYWOEAXCFBW-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-6-11(14-8-13-9)16-5-4-10(7-16)12(17)15(2)3/h6,8,10H,4-5,7H2,1-3H3/t10-/m1/s1.
What are the key properties of (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide?
(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95839552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).