methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate

C14H20N4O5 — CID 50959170

IUPACmethyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)n2)CN1C
InChIInChI=1S/C14H20N4O5/c1-18-7-8(5-10(18)13(20)22-3)15-12(19)9-6-11(21-2)17-14(16-9)23-4/h6,8,10H,5,7H2,1-4H3,(H,15,19)/t8-,10-/m0/s1
InChIKeyDRYSHJNNQBMEGI-WPRPVWTQSA-N
MW324.34 g/mol
LogP-0.53
Rot. Bonds5

About methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate

methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate (PubChem CID 50959170) has the molecular formula C14H20N4O5 and a molecular weight of 324.34 g/mol. Its IUPAC name is methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
PubChem CID50959170
Molecular FormulaC14H20N4O5
Molecular Weight324.34 g/mol
Exact Mass324.14
IUPAC Namemethyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)n2)CN1C
InChIInChI=1S/C14H20N4O5/c1-18-7-8(5-10(18)13(20)22-3)15-12(19)9-6-11(21-2)17-14(16-9)23-4/h6,8,10H,5,7H2,1-4H3,(H,15,19)/t8-,10-/m0/s1
InChIKeyDRYSHJNNQBMEGI-WPRPVWTQSA-N
XLogP-0.53
TPSA102.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate 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

2-(dimethylamino)-N-ethyl-6-methoxypyrimidine-4-carboxamide
CID 122180007
2,6-dimethoxy-N-[2-[(2S)-4-methylmorpholin-2-yl]ethyl]pyrimidine-4-carboxamide
CID 95229551
N-[[(2R)-1-cyclopropylpiperidin-2-yl]methyl]-6-methoxypyrimidine-4-carboxamide
CID 164635280
(6-Methoxy-2-piperazin-1-ylpyrimidin-4-yl)-piperidin-1-ylmethanone
CID 177658229
N-(cyclopropylmethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177658681
6-methoxy-N,N-dimethyl-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177659737
methyl (2R)-2-[(6-methoxy-2-piperazin-1-ylpyrimidine-4-carbonyl)amino]propanoate
CID 177660075
(2S)-2-[(6-methoxy-2-piperazin-1-ylpyrimidine-4-carbonyl)amino]propanoic acid
CID 177662161
methyl (2R)-2-[[2-(6-methoxy-2-piperazin-1-ylpyrimidin-4-yl)acetyl]amino]propanoate
CID 177662863
N-(2-hydroxyethyl)-6-methoxy-2-piperazin-1-ylpyrimidine-4-carboxamide
CID 177664241
Tert-butyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]acetate
CID 3389711
Ethyl 2-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-4-methylpentanoate
CID 3405827

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate (CID 50959170) is methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@H](NC(=O)c2cc(OC)nc(OC)n2)CN1C.
What is the InChIKey of methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
The InChIKey is DRYSHJNNQBMEGI-WPRPVWTQSA-N. The full InChI is InChI=1S/C14H20N4O5/c1-18-7-8(5-10(18)13(20)22-3)15-12(19)9-6-11(21-2)17-14(16-9)23-4/h6,8,10H,5,7H2,1-4H3,(H,15,19)/t8-,10-/m0/s1.
What are the key properties of methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate?
methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate has a molecular weight of 324.34 g/mol, XLogP of -0.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-[(2,6-dimethoxypyrimidine-4-carbonyl)amino]-1-methylpyrrolidine-2-carboxylate is sourced from PubChem (CID 50959170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).