4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride

C14H19ClN2 — CID 143972751

IUPAC4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride
SMILESCCc1cc(C2(C)C=CC=C(C)C2)ncn1.Cl
InChIInChI=1S/C14H18N2.ClH/c1-4-12-8-13(16-10-15-12)14(3)7-5-6-11(2)9-14;/h5-8,10H,4,9H2,1-3H3;1H
InChIKeyPDHPUWGLMLDANV-UHFFFAOYSA-N
MW250.77 g/mol
LogP3.62
Rot. Bonds2

About 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride

4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride (PubChem CID 143972751) has the molecular formula C14H19ClN2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride
PubChem CID143972751
Molecular FormulaC14H19ClN2
Molecular Weight250.77 g/mol
Exact Mass250.12
IUPAC Name4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride
SMILESCCc1cc(C2(C)C=CC=C(C)C2)ncn1.Cl
InChIInChI=1S/C14H18N2.ClH/c1-4-12-8-13(16-10-15-12)14(3)7-5-6-11(2)9-14;/h5-8,10H,4,9H2,1-3H3;1H
InChIKeyPDHPUWGLMLDANV-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Diethyl-6-phenyl-4-pyrimidinamine hydrochloride
CID 15945525
4-Tert-butyl-2-chloropyrimidine
CID 12450625
4-Tert-butyl-6-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 25128825
4-tert-butyl-N,N-dimethylpyrimidin-2-amine
CID 12450609
N,N-dimethyl-6-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 90054668
4-Methyl-6-phenylpyrimidine
CID 598429
4-Cyclohexylpyrimidine
CID 11672715
4-Tert-butyl-2,6-diethylpyrimidine
CID 13839705
2-Chloro-4,6-diisopropylpyrimidine
CID 126971308
2-Chloro-4-cyclohexylpyrimidine
CID 49758479
Dipentyl [2,2,4]triazin
CID 53683188
4-Hexylpyrimidine
CID 53994505

Frequently Asked Questions

What is the IUPAC name of 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride?
The IUPAC name of 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride (CID 143972751) is 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride.
What is the SMILES notation for 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride?
The canonical SMILES for 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride is CCc1cc(C2(C)C=CC=C(C)C2)ncn1.Cl.
What is the InChIKey of 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride?
The InChIKey is PDHPUWGLMLDANV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.ClH/c1-4-12-8-13(16-10-15-12)14(3)7-5-6-11(2)9-14;/h5-8,10H,4,9H2,1-3H3;1H.
What are the key properties of 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride?
4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride is sourced from PubChem (CID 143972751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).