2,4-diethyl-5-methyl-1,4-dihydropyrimidine

C9H16N2 — CID 123512702

IUPAC2,4-diethyl-5-methyl-1,4-dihydropyrimidine
SMILESCCC1=NC(CC)C(C)=CN1
InChIInChI=1S/C9H16N2/c1-4-8-7(3)6-10-9(5-2)11-8/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyLCMICCPVQBOATG-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.08
Rot. Bonds2

About 2,4-diethyl-5-methyl-1,4-dihydropyrimidine

2,4-diethyl-5-methyl-1,4-dihydropyrimidine (PubChem CID 123512702) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,4-diethyl-5-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name2,4-diethyl-5-methyl-1,4-dihydropyrimidine
PubChem CID123512702
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,4-diethyl-5-methyl-1,4-dihydropyrimidine
SMILESCCC1=NC(CC)C(C)=CN1
InChIInChI=1S/C9H16N2/c1-4-8-7(3)6-10-9(5-2)11-8/h6,8H,4-5H2,1-3H3,(H,10,11)
InChIKeyLCMICCPVQBOATG-UHFFFAOYSA-N
XLogP2.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-ylimino-5-(trifluoromethyl)-3,4-dihydro-1H-pyridin-4-amine
CID 136475443
2,4,5-Trimethyl-1,4-dihydropyrimidine
CID 89164495
5-Ethyl-2,4-dimethyl-1,4-dihydropyrimidine
CID 89750371
2,5-Diethyl-4-methyl-1,4-dihydropyrimidine
CID 89750389
4-Ethyl-2-methyl-5-propan-2-yl-1,4-dihydropyrimidine
CID 89750396
2-Ethyl-4,5-dimethyl-1,4-dihydropyrimidine
CID 89750427
2,4-Dimethyl-5-propan-2-yl-1,4-dihydropyrimidine
CID 89750433
4-Tert-butyl-2,5-diethyl-1,4-dihydropyrimidine
CID 117837439
4-Tert-butyl-2-ethyl-5-methyl-1,4-dihydropyrimidine
CID 117837440
4-Tert-butyl-2-ethyl-1,4-dihydropyrimidine
CID 117837442
4-Tert-butyl-2,5-dimethyl-1,4-dihydropyrimidine
CID 117837468
4-Tert-butyl-5-ethyl-2-methyl-1,4-dihydropyrimidine
CID 117837476

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-5-methyl-1,4-dihydropyrimidine?
The IUPAC name of 2,4-diethyl-5-methyl-1,4-dihydropyrimidine (CID 123512702) is 2,4-diethyl-5-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 2,4-diethyl-5-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 2,4-diethyl-5-methyl-1,4-dihydropyrimidine is CCC1=NC(CC)C(C)=CN1.
What is the InChIKey of 2,4-diethyl-5-methyl-1,4-dihydropyrimidine?
The InChIKey is LCMICCPVQBOATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-4-8-7(3)6-10-9(5-2)11-8/h6,8H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 2,4-diethyl-5-methyl-1,4-dihydropyrimidine?
2,4-diethyl-5-methyl-1,4-dihydropyrimidine has a molecular weight of 152.24 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 123512702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).