4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine

C15H21N5 — CID 95829142

IUPAC4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC[C@H](Cn3ccnc3C)C2)ncn1
InChIInChI=1S/C15H21N5/c1-12-8-15(18-11-17-12)20-6-3-4-14(10-20)9-19-7-5-16-13(19)2/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyHIMWHMXKJYXREB-CQSZACIVSA-N
MW271.37 g/mol
LogP2.21
Rot. Bonds3

About 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine

4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine (PubChem CID 95829142) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
PubChem CID95829142
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine
SMILESCc1cc(N2CCC[C@H](Cn3ccnc3C)C2)ncn1
InChIInChI=1S/C15H21N5/c1-12-8-15(18-11-17-12)20-6-3-4-14(10-20)9-19-7-5-16-13(19)2/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3/t14-/m1/s1
InChIKeyHIMWHMXKJYXREB-CQSZACIVSA-N
XLogP2.21
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]quinoxaline
CID 131918904
3-methyl-4-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-[1,2]oxazolo[5,4-d]pyrimidine
CID 70745727
4-methyl-6-[3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrimidine
CID 110270901
(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidine-1-carbaldehyde
CID 142002069
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669
N,N-dimethyl-6-[3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrazine-2-carboxamide
CID 131913909
1-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]ethanone
CID 63846340
(1-methylimidazol-2-yl)-[1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methanol
CID 133384388
4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315643
(3S)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine;bis((3R)-1-tert-butyl-3-[(2-methylimidazol-1-yl)methyl]piperidine);bis((3S)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine);bis((3R)-1-tert-butyl-3-[(4-methylimidazol-1-yl)methyl]piperidine)
CID 157430547
4-[3-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]-6-methylpyrimidine
CID 166612775

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine (CID 95829142) is 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine is Cc1cc(N2CCC[C@H](Cn3ccnc3C)C2)ncn1.
What is the InChIKey of 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
The InChIKey is HIMWHMXKJYXREB-CQSZACIVSA-N. The full InChI is InChI=1S/C15H21N5/c1-12-8-15(18-11-17-12)20-6-3-4-14(10-20)9-19-7-5-16-13(19)2/h5,7-8,11,14H,3-4,6,9-10H2,1-2H3/t14-/m1/s1.
What are the key properties of 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine?
4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine has a molecular weight of 271.37 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(3S)-3-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 95829142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).