4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine

C9H14N2 — CID 123143968

IUPAC4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine
SMILESC=C(C)C1=NC(CC)C=CN1
InChIInChI=1S/C9H14N2/c1-4-8-5-6-10-9(11-8)7(2)3/h5-6,8H,2,4H2,1,3H3,(H,10,11)
InChIKeyNLTHTRWWRFDOIA-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.86
Rot. Bonds2

About 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine

4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine (PubChem CID 123143968) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine
PubChem CID123143968
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine
SMILESC=C(C)C1=NC(CC)C=CN1
InChIInChI=1S/C9H14N2/c1-4-8-5-6-10-9(11-8)7(2)3/h5-6,8H,2,4H2,1,3H3,(H,10,11)
InChIKeyNLTHTRWWRFDOIA-UHFFFAOYSA-N
XLogP1.86
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
N-[(Z)-2-aminoethenyl]-2-(methylaminomethyl)-N'-propan-2-ylprop-2-enimidamide
CID 88233774
2-Ethyl-4-methyl-1,4-dihydropyrimidine
CID 89750395
2-Ethyl-4,5-dimethyl-1,4-dihydropyrimidine
CID 89750427
2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
CID 90783163
(5Z)-N-ethenyl-5-ethylidene-3,4-dihydro-2H-pyridin-6-amine
CID 91246509
4-Tert-butyl-2-ethyl-1,4-dihydropyrimidine
CID 117837442
4-Methyl-2-propan-2-yl-1,4-dihydropyrimidine
CID 117839090
2,4-Diethyl-5-methyl-1,4-dihydropyrimidine
CID 123512702
N-ethenyl-5-ethyl-2,3-dihydropyridin-6-amine
CID 123914489
4-methyl-2-propan-2-yl-1H-pyrimidin-4-amine
CID 129239359
3-methylidene-N-(2-methyliminoethenyl)pyrrol-2-amine
CID 132104391

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine?
The IUPAC name of 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine (CID 123143968) is 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine.
What is the SMILES notation for 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine?
The canonical SMILES for 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine is C=C(C)C1=NC(CC)C=CN1.
What is the InChIKey of 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine?
The InChIKey is NLTHTRWWRFDOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8-5-6-10-9(11-8)7(2)3/h5-6,8H,2,4H2,1,3H3,(H,10,11).
What are the key properties of 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine?
4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine has a molecular weight of 150.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-prop-1-en-2-yl-1,4-dihydropyrimidine is sourced from PubChem (CID 123143968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).