4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine

C18H20N4 — CID 138655521

IUPAC4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine
SMILESCCc1cc(Cc2ccc(Cn3cc(C)cn3)cc2)ncn1
InChIInChI=1S/C18H20N4/c1-3-17-9-18(20-13-19-17)8-15-4-6-16(7-5-15)12-22-11-14(2)10-21-22/h4-7,9-11,13H,3,8,12H2,1-2H3
InChIKeyFZCPYOXXWWAHBY-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.18
Rot. Bonds5

About 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine

4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine (PubChem CID 138655521) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine
PubChem CID138655521
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine
SMILESCCc1cc(Cc2ccc(Cn3cc(C)cn3)cc2)ncn1
InChIInChI=1S/C18H20N4/c1-3-17-9-18(20-13-19-17)8-15-4-6-16(7-5-15)12-22-11-14(2)10-21-22/h4-7,9-11,13H,3,8,12H2,1-2H3
InChIKeyFZCPYOXXWWAHBY-UHFFFAOYSA-N
XLogP3.18
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-methylpyrazol-1-yl)methyl]pyridine
CID 60872723
trimethyl-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]silane
CID 103438533
4-methyl-1-[[4-(nitrosomethyl)phenyl]methyl]pyrazole
CID 134423680
[4-(chloromethyl)phenyl]methanol;[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methanol
CID 158250652
[3-[(4-methylpyrazol-1-yl)methyl]phenyl]methanamine
CID 60873665
1-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]ethanone
CID 170580245
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]triazole
CID 118871359
2-methyl-N-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]propan-1-amine
CID 55091573
methyl 2-[5-[(4-methylpyrazol-1-yl)methyl]-2-pyridinyl]acetate
CID 150282683
2-bromo-5-[(4-methylpyrazol-1-yl)methyl]aniline
CID 115557328
4,6-diethylpyrimidine;N-methylmethanamine
CID 67760637
5-[(4-methylpyrazol-1-yl)methyl]pyridine-2-carboxylic acid
CID 170756022

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine?
The IUPAC name of 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine (CID 138655521) is 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine.
What is the SMILES notation for 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine?
The canonical SMILES for 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine is CCc1cc(Cc2ccc(Cn3cc(C)cn3)cc2)ncn1.
What is the InChIKey of 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine?
The InChIKey is FZCPYOXXWWAHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-3-17-9-18(20-13-19-17)8-15-4-6-16(7-5-15)12-22-11-14(2)10-21-22/h4-7,9-11,13H,3,8,12H2,1-2H3.
What are the key properties of 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine?
4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine has a molecular weight of 292.39 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyrimidine is sourced from PubChem (CID 138655521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).