4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine

C14H19N5 — CID 110271171

IUPAC4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCn1cncc1CN1CCCCC1c1ccncn1
InChIInChI=1S/C14H19N5/c1-18-11-16-8-12(18)9-19-7-3-2-4-14(19)13-5-6-15-10-17-13/h5-6,8,10-11,14H,2-4,7,9H2,1H3
InChIKeyZNOBRCQWBFGJMI-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.94
Rot. Bonds3

About 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine

4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine (PubChem CID 110271171) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
PubChem CID110271171
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine
SMILESCn1cncc1CN1CCCCC1c1ccncn1
InChIInChI=1S/C14H19N5/c1-18-11-16-8-12(18)9-19-7-3-2-4-14(19)13-5-6-15-10-17-13/h5-6,8,10-11,14H,2-4,7,9H2,1H3
InChIKeyZNOBRCQWBFGJMI-UHFFFAOYSA-N
XLogP1.94
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-[(2S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 95817567
4-[1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrimidine
CID 110254306
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
4-[(2S)-1-[(3-methylthiophen-2-yl)methyl]piperidin-2-yl]pyrimidine
CID 124971540
4-[(2R)-1-[(1-propylpyrazol-4-yl)methyl]piperidin-2-yl]pyrimidine
CID 125016297
2-[1-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]piperidin-2-yl]pyridine
CID 91838335
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The IUPAC name of 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine (CID 110271171) is 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine.
What is the SMILES notation for 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The canonical SMILES for 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine is Cn1cncc1CN1CCCCC1c1ccncn1.
What is the InChIKey of 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
The InChIKey is ZNOBRCQWBFGJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5/c1-18-11-16-8-12(18)9-19-7-3-2-4-14(19)13-5-6-15-10-17-13/h5-6,8,10-11,14H,2-4,7,9H2,1H3.
What are the key properties of 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine?
4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine has a molecular weight of 257.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrimidine is sourced from PubChem (CID 110271171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).