1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine

C12H22N2 — CID 57308003

IUPAC1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine
SMILESCCC1=CN(CC)C(C(C)C)=NC1C
InChIInChI=1S/C12H22N2/c1-6-11-8-14(7-2)12(9(3)4)13-10(11)5/h8-10H,6-7H2,1-5H3
InChIKeyWSLQYLHEWRVIDK-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.06
Rot. Bonds3

About 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine

1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine (PubChem CID 57308003) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine.

Molecular Properties

Compound Name1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine
PubChem CID57308003
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine
SMILESCCC1=CN(CC)C(C(C)C)=NC1C
InChIInChI=1S/C12H22N2/c1-6-11-8-14(7-2)12(9(3)4)13-10(11)5/h8-10H,6-7H2,1-5H3
InChIKeyWSLQYLHEWRVIDK-UHFFFAOYSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine?
The IUPAC name of 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine (CID 57308003) is 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine.
What is the SMILES notation for 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine?
The canonical SMILES for 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine is CCC1=CN(CC)C(C(C)C)=NC1C.
What is the InChIKey of 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine?
The InChIKey is WSLQYLHEWRVIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-6-11-8-14(7-2)12(9(3)4)13-10(11)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine?
1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine has a molecular weight of 194.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diethyl-4-methyl-2-propan-2-yl-4H-pyrimidine is sourced from PubChem (CID 57308003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).