(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

C14H18N6O2 — CID 98769766

IUPAC(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESCn1ccnc1CN1CCN(c2ncccn2)C[C@H]1C(=O)O
InChIInChI=1S/C14H18N6O2/c1-18-6-5-15-12(18)10-19-7-8-20(9-11(19)13(21)22)14-16-3-2-4-17-14/h2-6,11H,7-10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyZCCCTSWKJFXPBN-NSHDSACASA-N
MW302.34 g/mol
LogP-0.01
Rot. Bonds4

About (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid

(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (PubChem CID 98769766) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
PubChem CID98769766
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESCn1ccnc1CN1CCN(c2ncccn2)C[C@H]1C(=O)O
InChIInChI=1S/C14H18N6O2/c1-18-6-5-15-12(18)10-19-7-8-20(9-11(19)13(21)22)14-16-3-2-4-17-14/h2-6,11H,7-10H2,1H3,(H,21,22)/t11-/m0/s1
InChIKeyZCCCTSWKJFXPBN-NSHDSACASA-N
XLogP-0.01
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid 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

(2R)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 95509884
(2S)-1-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 98771763
1-[(3-ethyl-1H-pyrazol-5-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56863447
2-[(1-methylimidazol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 62875200
(3aS,6aR)-2-[(1-methylimidazol-2-yl)methyl]-5-pyrimidin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 97457917
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56878669
N-methyl-1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylpiperazine-2-carboxamide
CID 110258633
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
2-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]-1-phenylethanone
CID 97320679
8-(cyclopropanecarbonyl)-2-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56892074
9-methyl-2-[(1-methylimidazol-2-yl)methyl]-1,3,4,6,7,8,10,10a-octahydropyrazino[1,2-a][1,4]diazepine-7-carboxylic acid
CID 131658712
N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 95290702

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (CID 98769766) is (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is Cn1ccnc1CN1CCN(c2ncccn2)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The InChIKey is ZCCCTSWKJFXPBN-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O2/c1-18-6-5-15-12(18)10-19-7-8-20(9-11(19)13(21)22)14-16-3-2-4-17-14/h2-6,11H,7-10H2,1H3,(H,21,22)/t11-/m0/s1.
What are the key properties of (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
(2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid has a molecular weight of 302.34 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 98769766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).