1,3-diethyl-2-methyl-2,4-dihydropyrimidine

C9H18N2 — CID 67177121

IUPAC1,3-diethyl-2-methyl-2,4-dihydropyrimidine
SMILESCCN1C=CCN(CC)C1C
InChIInChI=1S/C9H18N2/c1-4-10-7-6-8-11(5-2)9(10)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyANBYYLUWODPPRE-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.50
Rot. Bonds2

About 1,3-diethyl-2-methyl-2,4-dihydropyrimidine

1,3-diethyl-2-methyl-2,4-dihydropyrimidine (PubChem CID 67177121) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1,3-diethyl-2-methyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name1,3-diethyl-2-methyl-2,4-dihydropyrimidine
PubChem CID67177121
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1,3-diethyl-2-methyl-2,4-dihydropyrimidine
SMILESCCN1C=CCN(CC)C1C
InChIInChI=1S/C9H18N2/c1-4-10-7-6-8-11(5-2)9(10)3/h6-7,9H,4-5,8H2,1-3H3
InChIKeyANBYYLUWODPPRE-UHFFFAOYSA-N
XLogP1.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-methyl-2,4-dihydropyrimidine?
The IUPAC name of 1,3-diethyl-2-methyl-2,4-dihydropyrimidine (CID 67177121) is 1,3-diethyl-2-methyl-2,4-dihydropyrimidine.
What is the SMILES notation for 1,3-diethyl-2-methyl-2,4-dihydropyrimidine?
The canonical SMILES for 1,3-diethyl-2-methyl-2,4-dihydropyrimidine is CCN1C=CCN(CC)C1C.
What is the InChIKey of 1,3-diethyl-2-methyl-2,4-dihydropyrimidine?
The InChIKey is ANBYYLUWODPPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-10-7-6-8-11(5-2)9(10)3/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 1,3-diethyl-2-methyl-2,4-dihydropyrimidine?
1,3-diethyl-2-methyl-2,4-dihydropyrimidine has a molecular weight of 154.26 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-methyl-2,4-dihydropyrimidine is sourced from PubChem (CID 67177121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).