1,3-diethyl-2,4-dihydropyrimidine

C8H16N2 — CID 66729696

IUPAC1,3-diethyl-2,4-dihydropyrimidine
SMILESCCN1C=CCN(CC)C1
InChIInChI=1S/C8H16N2/c1-3-9-6-5-7-10(4-2)8-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyKSTMTOKQIFRQFU-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.12
Rot. Bonds2

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

1,3-diethyl-2,4-dihydropyrimidine (PubChem CID 66729696) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 1,3-diethyl-2,4-dihydropyrimidine.

Molecular Properties

Compound Name1,3-diethyl-2,4-dihydropyrimidine
PubChem CID66729696
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name1,3-diethyl-2,4-dihydropyrimidine
SMILESCCN1C=CCN(CC)C1
InChIInChI=1S/C8H16N2/c1-3-9-6-5-7-10(4-2)8-9/h5-6H,3-4,7-8H2,1-2H3
InChIKeyKSTMTOKQIFRQFU-UHFFFAOYSA-N
XLogP1.12
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2,4-dihydropyrimidine?
The IUPAC name of 1,3-diethyl-2,4-dihydropyrimidine (CID 66729696) is 1,3-diethyl-2,4-dihydropyrimidine.
What is the SMILES notation for 1,3-diethyl-2,4-dihydropyrimidine?
The canonical SMILES for 1,3-diethyl-2,4-dihydropyrimidine is CCN1C=CCN(CC)C1.
What is the InChIKey of 1,3-diethyl-2,4-dihydropyrimidine?
The InChIKey is KSTMTOKQIFRQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-3-9-6-5-7-10(4-2)8-9/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 1,3-diethyl-2,4-dihydropyrimidine?
1,3-diethyl-2,4-dihydropyrimidine has a molecular weight of 140.23 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2,4-dihydropyrimidine is sourced from PubChem (CID 66729696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).