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

C14H18N6O2 — CID 56866095

IUPAC1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESCn1ccnc1CN1CCN(c2ncccn2)CC1C(=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)
InChIKeyZCCCTSWKJFXPBN-UHFFFAOYSA-N
MW302.34 g/mol
LogP-0.01
Rot. Bonds4

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

1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (PubChem CID 56866095) has the molecular formula C14H18N6O2 and a molecular weight of 302.34 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
PubChem CID56866095
Molecular FormulaC14H18N6O2
Molecular Weight302.34 g/mol
Exact Mass302.15
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
SMILESCn1ccnc1CN1CCN(c2ncccn2)CC1C(=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)
InChIKeyZCCCTSWKJFXPBN-UHFFFAOYSA-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

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Related Compounds

(2S)-2-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]propanoic acid
CID 129371698
[(2R)-4-(6-imidazol-1-ylpyrimidin-4-yl)-1-methylpiperazin-2-yl]methanol
CID 164633059
1-(5-Fluoropyrimidin-2-yl)imidazole-2-carboxylic acid
CID 130610001
2-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl-methylamino]propanoic acid
CID 136582551
2-[4-[2-(2-Methylimidazol-1-yl)propyl]piperazin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154888543
1-(3-Methylbut-2-enoyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56867466
1-(1H-imidazol-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 56872030
2-[4-(Pyrimidin-2-yl)piperazin-1-yl]propanoic acid
CID 20992085
3-[4-(Pyrimidin-2-yl)piperazin-1-yl]propanoic acid
CID 22337270
4-(Pyrimidin-2-yl)piperazine-2-carboxylic acid
CID 58735966
1-Pyrimidin-2-ylpiperazine-2-carboxylic acid
CID 65632105
1-Pyrimidin-4-ylpiperazine-2-carboxylic acid
CID 65645657

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid (CID 56866095) is 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is Cn1ccnc1CN1CCN(c2ncccn2)CC1C(=O)O.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
The InChIKey is ZCCCTSWKJFXPBN-UHFFFAOYSA-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).
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid?
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 1-[(1-methylimidazol-2-yl)methyl]-4-pyrimidin-2-ylpiperazine-2-carboxylic acid is sourced from PubChem (CID 56866095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).