(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine

C10H12N2 — CID 139435840

IUPAC(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
SMILESC=C/C(C)=c1\c(C)ncnc1=C
InChIInChI=1S/C10H12N2/c1-5-7(2)10-8(3)11-6-12-9(10)4/h5-6H,1,3H2,2,4H3/b10-7-
InChIKeyQSIYIVWAUSNHJE-YFHOEESVSA-N
MW160.22 g/mol
LogP0.55
Rot. Bonds1

About (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine

(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine (PubChem CID 139435840) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine.

Molecular Properties

Compound Name(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
PubChem CID139435840
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine
SMILESC=C/C(C)=c1\c(C)ncnc1=C
InChIInChI=1S/C10H12N2/c1-5-7(2)10-8(3)11-6-12-9(10)4/h5-6H,1,3H2,2,4H3/b10-7-
InChIKeyQSIYIVWAUSNHJE-YFHOEESVSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 45080391
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Imidazo[4,5-c]carbazole
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4-methyl-8H-quinazolin-8-ide;yttrium
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4-methyl-5H-quinazolin-5-ide;yttrium
CID 58945779
4-Methyl-6,7-dihydroquinazoline
CID 59065946
Imidazo[4,5-g][1]benzazepine
CID 70405147
(5E)-4-methyl-6-methylidene-5-[(Z)-pent-2-enylidene]pyrimidine
CID 89038797
(4E,5E)-4-ethylidene-6-methyl-5-(2-methylprop-2-enylidene)pyrimidine
CID 90136221
Iodomethane;4-methyl-6,7-dihydroquinazoline
CID 90762040
Ethane;4-methyl-6,7-dihydroquinazoline
CID 90864738

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine?
The IUPAC name of (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine (CID 139435840) is (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine.
What is the SMILES notation for (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine?
The canonical SMILES for (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine is C=C/C(C)=c1\c(C)ncnc1=C.
What is the InChIKey of (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine?
The InChIKey is QSIYIVWAUSNHJE-YFHOEESVSA-N. The full InChI is InChI=1S/C10H12N2/c1-5-7(2)10-8(3)11-6-12-9(10)4/h5-6H,1,3H2,2,4H3/b10-7-.
What are the key properties of (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine?
(5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine has a molecular weight of 160.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-but-3-en-2-ylidene-4-methyl-6-methylidenepyrimidine is sourced from PubChem (CID 139435840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).