2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine

C19H22N6 — CID 10308727

IUPAC2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCn1cc(CN2CCN(c3ncccn3)CC2)nc1-c1ccccc1
InChIInChI=1S/C19H22N6/c1-23-14-17(22-18(23)16-6-3-2-4-7-16)15-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9,14H,10-13,15H2,1H3
InChIKeyZSELKGIYLXMRRB-UHFFFAOYSA-N
MW334.43 g/mol
LogP2.20
Rot. Bonds4

About 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine

2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine (PubChem CID 10308727) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
PubChem CID10308727
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine
SMILESCn1cc(CN2CCN(c3ncccn3)CC2)nc1-c1ccccc1
InChIInChI=1S/C19H22N6/c1-23-14-17(22-18(23)16-6-3-2-4-7-16)15-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9,14H,10-13,15H2,1H3
InChIKeyZSELKGIYLXMRRB-UHFFFAOYSA-N
XLogP2.20
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 95811450
2-(2-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazole
CID 6467633
2-[4-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl]piperazin-1-yl]pyrimidine
CID 42595844
N-(4-methylphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 8543234
5-methyl-2,4-bis[4-(pyridin-2-ylmethyl)piperazin-1-yl]pyrimidine
CID 133349095
4-[[4-(4-phenylpyrimidin-2-yl)piperazin-1-yl]methyl]-2-propan-2-yl-1,3-oxazole
CID 91834020
3-methyl-2-phenyl-6-[4-(pyridin-2-ylmethyl)piperazin-1-yl]imidazo[1,2-b]pyridazine
CID 67983035
1-methyl-4-[[3-(4-pyrimidin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyrimidin-2-one
CID 126893933
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
N-ethyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-amine
CID 163349475
2-methyl-3-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]aniline
CID 43509117
2-(4-ethoxyphenyl)-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 56675706

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine (CID 10308727) is 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine is Cn1cc(CN2CCN(c3ncccn3)CC2)nc1-c1ccccc1.
What is the InChIKey of 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
The InChIKey is ZSELKGIYLXMRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-23-14-17(22-18(23)16-6-3-2-4-7-16)15-24-10-12-25(13-11-24)19-20-8-5-9-21-19/h2-9,14H,10-13,15H2,1H3.
What are the key properties of 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine?
2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine has a molecular weight of 334.43 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-methyl-2-phenylimidazol-4-yl)methyl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 10308727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).