N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide

C17H28N4O — CID 126450057

IUPACN-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)C[C@H](C)CN2CCCC2)n1
InChIInChI=1S/C17H28N4O/c1-13(2)16-18-8-7-15(19-16)17(22)20(4)11-14(3)12-21-9-5-6-10-21/h7-8,13-14H,5-6,9-12H2,1-4H3/t14-/m0/s1
InChIKeyMMVJOJXPNSUCPD-AWEZNQCLSA-N
MW304.44 g/mol
LogP2.40
Rot. Bonds6

About N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide

N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 126450057) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID126450057
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC NameN-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCC(C)c1nccc(C(=O)N(C)C[C@H](C)CN2CCCC2)n1
InChIInChI=1S/C17H28N4O/c1-13(2)16-18-8-7-15(19-16)17(22)20(4)11-14(3)12-21-9-5-6-10-21/h7-8,13-14H,5-6,9-12H2,1-4H3/t14-/m0/s1
InChIKeyMMVJOJXPNSUCPD-AWEZNQCLSA-N
XLogP2.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-Ethylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 6465535
(2-Methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770296
Pyrimidine-4-carboxamide
CID 17861762
2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
2-Isopropyl-4-pyrimidinecarbaldehyde
CID 28065128
2,6-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-propylpyrimidine-4-carboxamide
CID 50983198
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53568140
[4-[(1-Ethylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 53602022
(2-Methylpyrimidin-4-yl)-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 53608900
(2-Methylpyrimidin-4-yl)-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 72123685
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 72143173
2-(Dimethylamino)-1-[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]ethanone
CID 73440182

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide (CID 126450057) is N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide is CC(C)c1nccc(C(=O)N(C)C[C@H](C)CN2CCCC2)n1.
What is the InChIKey of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is MMVJOJXPNSUCPD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13(2)16-18-8-7-15(19-16)17(22)20(4)11-14(3)12-21-9-5-6-10-21/h7-8,13-14H,5-6,9-12H2,1-4H3/t14-/m0/s1.
What are the key properties of N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide?
N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 304.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2R)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 126450057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).