(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine

C10H12N2 — CID 168932435

IUPAC(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine
SMILESC=C/C=c1/ncncc1=C(C)C
InChIInChI=1S/C10H12N2/c1-4-5-10-9(8(2)3)6-11-7-12-10/h4-7H,1H2,2-3H3/b10-5+
InChIKeyAWICDELXXQHJJA-BJMVGYQFSA-N
MW160.22 g/mol
LogP0.63
Rot. Bonds1

About (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine

(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine (PubChem CID 168932435) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine.

Molecular Properties

Compound Name(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine
PubChem CID168932435
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine
SMILESC=C/C=c1/ncncc1=C(C)C
InChIInChI=1S/C10H12N2/c1-4-5-10-9(8(2)3)6-11-7-12-10/h4-7H,1H2,2-3H3/b10-5+
InChIKeyAWICDELXXQHJJA-BJMVGYQFSA-N
XLogP0.63
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-Dimethylene-2,5-dihydropyridine
CID 76588966
(Z)-N-(4-fluorocyclohexa-1,5-dien-1-yl)-2-methylbut-2-en-1-imine
CID 91428366
N-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-2-methylprop-2-en-1-imine
CID 145540462
3-methyl-5H-quinolin-5-ide;yttrium
CID 59098079
(2E)-3-methylidene-2-prop-2-enylidenepyridine
CID 60116677
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(3Z)-3-ethylidene-N-methylpyridin-2-imine
CID 68010675
(3Z)-3-ethylidene-N-[(Z)-3-methylbut-1-enyl]pyridin-2-imine
CID 70306674
6,6-Dimethylcyclohepta[d]pyrimidine
CID 70316666
3-Methylidene-2-prop-2-enylidenepyridine
CID 72652539
(5Z,6E)-5-ethylidene-6-prop-2-enylidenepyridin-3-amine
CID 87171102
(2E)-N-methyl-2-(3-methylidene-2-pyridinylidene)ethanimine
CID 88271063

Frequently Asked Questions

What is the IUPAC name of (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine?
The IUPAC name of (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine (CID 168932435) is (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine.
What is the SMILES notation for (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine?
The canonical SMILES for (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine is C=C/C=c1/ncncc1=C(C)C.
What is the InChIKey of (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine?
The InChIKey is AWICDELXXQHJJA-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-5-10-9(8(2)3)6-11-7-12-10/h4-7H,1H2,2-3H3/b10-5+.
What are the key properties of (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine?
(4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine has a molecular weight of 160.22 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-5-propan-2-ylidene-4-prop-2-enylidenepyrimidine is sourced from PubChem (CID 168932435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).