N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide

C18H24N6O — CID 124956996

IUPACN-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1nc(C)cc(C)n1
InChIInChI=1S/C18H24N6O/c1-11-8-12(2)22-18(21-11)24-7-5-6-16(24)17-15(10-20-14(4)25)9-19-13(3)23-17/h8-9,16H,5-7,10H2,1-4H3,(H,20,25)/t16-/m0/s1
InChIKeyFVOJVKLUDGNTOO-INIZCTEOSA-N
MW340.43 g/mol
LogP2.17
Rot. Bonds4

About N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide

N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide (PubChem CID 124956996) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
PubChem CID124956996
Molecular FormulaC18H24N6O
Molecular Weight340.43 g/mol
Exact Mass340.20
IUPAC NameN-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1nc(C)cc(C)n1
InChIInChI=1S/C18H24N6O/c1-11-8-12(2)22-18(21-11)24-7-5-6-16(24)17-15(10-20-14(4)25)9-19-13(3)23-17/h8-9,16H,5-7,10H2,1-4H3,(H,20,25)/t16-/m0/s1
InChIKeyFVOJVKLUDGNTOO-INIZCTEOSA-N
XLogP2.17
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide 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

N-[[2-methyl-4-[(2R)-1-(2-oxo-2-piperidin-1-ylethyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124997828
N-[[2-methyl-4-(1-propylsulfonylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]acetamide
CID 110116834
N-[[2-methyl-4-[1-(3-methylpyridine-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 110095709
N-[[2-methyl-4-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 124985573
2-(4-chlorophenyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125022456
3-fluoro-4-methyl-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 124970354
4-(methoxymethyl)-N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]benzamide
CID 125022123
2-(3-fluorophenyl)-N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]acetamide
CID 125008457
N-[[2-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 124976141
N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]-1H-indole-2-carboxamide
CID 155983693
N-[[2-methyl-4-[(2R)-1-methylpyrrolidin-2-yl]pyrimidin-5-yl]methyl]-2-(4-methylpyrazol-1-yl)acetamide
CID 125019389
6-methoxy-N-[[2-methyl-4-(1-methylpyrrolidin-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117377

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide (CID 124956996) is N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide is CC(=O)NCc1cnc(C)nc1[C@@H]1CCCN1c1nc(C)cc(C)n1.
What is the InChIKey of N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide?
The InChIKey is FVOJVKLUDGNTOO-INIZCTEOSA-N. The full InChI is InChI=1S/C18H24N6O/c1-11-8-12(2)22-18(21-11)24-7-5-6-16(24)17-15(10-20-14(4)25)9-19-13(3)23-17/h8-9,16H,5-7,10H2,1-4H3,(H,20,25)/t16-/m0/s1.
What are the key properties of N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide?
N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2S)-1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-2-methylpyrimidin-5-yl]methyl]acetamide is sourced from PubChem (CID 124956996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).