4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine

C18H26N6 — CID 56873336

IUPAC4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(C2CCC2)nc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C18H26N6/c1-14-12-16(15-4-3-5-15)21-18(20-14)24-10-8-23(9-11-24)13-17-19-6-7-22(17)2/h6-7,12,15H,3-5,8-11,13H2,1-2H3
InChIKeyNAUGGLDORMZRLL-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.11
Rot. Bonds4

About 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine

4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 56873336) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID56873336
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCc1cc(C2CCC2)nc(N2CCN(Cc3nccn3C)CC2)n1
InChIInChI=1S/C18H26N6/c1-14-12-16(15-4-3-5-15)21-18(20-14)24-10-8-23(9-11-24)13-17-19-6-7-22(17)2/h6-7,12,15H,3-5,8-11,13H2,1-2H3
InChIKeyNAUGGLDORMZRLL-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 56906811
2-methyl-4-[(3S)-1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyrimidine
CID 95816201
1-(4-cyclobutyl-6-methylpyrimidin-2-yl)-N,N-dimethylpyrrolidin-3-amine
CID 56872555
4-methyl-6-[1-[[2-[(Z)-prop-1-enyl]pyrimidin-5-yl]methyl]piperidin-4-yl]-2-pyrrolidin-1-ylpyrimidine
CID 130328936
4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 133460505
5-methyl-2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridine
CID 110257106
N-methyl-1-[(1-methylimidazol-2-yl)methyl]piperidin-4-amine
CID 63295696
1-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 42961844
2-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-6-(3-methylphenyl)pyridine
CID 110249834
N-methyl-4-[[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperidin-1-yl]methyl]aniline
CID 67678903
N,N,6-trimethyl-2-[(3R)-3-methyl-4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 95290702
N-methyl-6-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]pyridin-2-amine
CID 110257105

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine (CID 56873336) is 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine is Cc1cc(C2CCC2)nc(N2CCN(Cc3nccn3C)CC2)n1.
What is the InChIKey of 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is NAUGGLDORMZRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-14-12-16(15-4-3-5-15)21-18(20-14)24-10-8-23(9-11-24)13-17-19-6-7-22(17)2/h6-7,12,15H,3-5,8-11,13H2,1-2H3.
What are the key properties of 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine?
4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 326.45 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-6-methyl-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 56873336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).