4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide

C16H26N6O2 — CID 95763946

IUPAC4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1
InChIInChI=1S/C16H26N6O2/c1-19(2)16(24)21-8-6-20(7-9-21)14-10-15(18-12-17-14)22-5-3-4-13(22)11-23/h10,12-13,23H,3-9,11H2,1-2H3/t13-/m0/s1
InChIKeyCSMYAJMIBNOGJM-ZDUSSCGKSA-N
MW334.42 g/mol
LogP0.24
Rot. Bonds3

About 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide

4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 95763946) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID95763946
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1
InChIInChI=1S/C16H26N6O2/c1-19(2)16(24)21-8-6-20(7-9-21)14-10-15(18-12-17-14)22-5-3-4-13(22)11-23/h10,12-13,23H,3-9,11H2,1-2H3/t13-/m0/s1
InChIKeyCSMYAJMIBNOGJM-ZDUSSCGKSA-N
XLogP0.24
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-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

[4-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 133298249
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
[(2S)-1-(6-thiomorpholin-4-ylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 95763979
2-[[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]propanoic acid
CID 122048649
1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-1,4-diazepan-5-one
CID 95764100
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
[1-[6-(4-cyclohexyloxypiperidin-1-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133300212
[1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 115265310
[1-(6-propylpyrimidin-4-yl)pyrrolidin-2-yl]methanol
CID 61409380
1-[6-[2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 133356426
[1-[6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133479701
2-[[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-methylamino]-N-methylacetamide
CID 98767103

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide (CID 95763946) is 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1.
What is the InChIKey of 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is CSMYAJMIBNOGJM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-19(2)16(24)21-8-6-20(7-9-21)14-10-15(18-12-17-14)22-5-3-4-13(22)11-23/h10,12-13,23H,3-9,11H2,1-2H3/t13-/m0/s1.
What are the key properties of 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide?
4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 95763946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).