N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide

C12H16N4O3 — CID 110132910

IUPACN-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1O
InChIInChI=1S/C12H16N4O3/c1-7-13-4-3-9(14-7)12(19)16-5-10(11(18)6-16)15-8(2)17/h3-4,10-11,18H,5-6H2,1-2H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyUXLJDIAXDUZTJD-GHMZBOCLSA-N
MW264.28 g/mol
LogP-0.89
Rot. Bonds2

About N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide

N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide (PubChem CID 110132910) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
PubChem CID110132910
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC NameN-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1O
InChIInChI=1S/C12H16N4O3/c1-7-13-4-3-9(14-7)12(19)16-5-10(11(18)6-16)15-8(2)17/h3-4,10-11,18H,5-6H2,1-2H3,(H,15,17)/t10-,11-/m1/s1
InChIKeyUXLJDIAXDUZTJD-GHMZBOCLSA-N
XLogP-0.89
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]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

(3-aminoazetidin-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 130925967
1-[4-(2-methylpyrimidine-4-carbonyl)piperazin-1-yl]ethanone
CID 47255982
N-[(3R,4R)-4-hydroxy-1-(quinoline-3-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132999
N-[(3R,4R)-4-hydroxy-1-(2-propan-2-ylpyrimidine-5-carbonyl)pyrrolidin-3-yl]acetamide
CID 110132997
(4,4-dimethylpiperazin-4-ium-1-yl)-(2-methylpyrimidin-4-yl)methanone
CID 123694464
[(3S)-3-(dimethylamino)piperidin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 95143975
N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117016
(2-methylpyrimidin-4-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768636
[4-(2-hydroxypropyl)piperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 56802501
[(2R)-2-(6-amino-2-pyridinyl)morpholin-4-yl]-(2-methylpyrimidin-4-yl)methanone
CID 125016179
N-[(3S,4R)-4-(5-methylfuran-2-yl)-1-(2-methylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 70754891
[4-(4-ethyl-1,3-thiazole-5-carbonyl)-3-methylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 166398308

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide (CID 110132910) is N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(C(=O)c2ccnc(C)n2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide?
The InChIKey is UXLJDIAXDUZTJD-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7-13-4-3-9(14-7)12(19)16-5-10(11(18)6-16)15-8(2)17/h3-4,10-11,18H,5-6H2,1-2H3,(H,15,17)/t10-,11-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide?
N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide has a molecular weight of 264.28 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 110132910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).