(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine

C13H18N2 — CID 143715495

IUPAC(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine
SMILESC=C1NC=NC(=C/C)/C1=C\C(=C)C(C)C
InChIInChI=1S/C13H18N2/c1-6-13-12(7-10(4)9(2)3)11(5)14-8-15-13/h6-9H,4-5H2,1-3H3,(H,14,15)/b12-7-,13-6+
InChIKeyJXXZWBILRVBQNH-UNUUJLFKSA-N
MW202.30 g/mol
LogP3.17
Rot. Bonds2

About (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine

(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine (PubChem CID 143715495) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine.

Molecular Properties

Compound Name(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine
PubChem CID143715495
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine
SMILESC=C1NC=NC(=C/C)/C1=C\C(=C)C(C)C
InChIInChI=1S/C13H18N2/c1-6-13-12(7-10(4)9(2)3)11(5)14-8-15-13/h6-9H,4-5H2,1-3H3,(H,14,15)/b12-7-,13-6+
InChIKeyJXXZWBILRVBQNH-UNUUJLFKSA-N
XLogP3.17
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methylidene-4,5-di(propan-2-yl)-1H-pyrimidine
CID 60125687
1,4,6,7-Tetrahydroquinazoline
CID 91013130
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
N-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-methyl-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]methanimidamide
CID 123963482
4-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-6-methyl-1,4-dihydropyrimidine
CID 124199139
5-methyl-4-(3-methylbut-1-en-2-yl)-6-methylidene-1H-pyrimidine
CID 126593522
N-[(4Z,6Z)-6-methylocta-1,4,6-trien-2-yl]-N'-[(3E,5Z)-3-[(E)-prop-1-enyl]hepta-3,5-dien-2-yl]methanimidamide
CID 129294469
4-methyl-4,6-di(propan-2-yl)-1H-pyrimidine
CID 130311140
N'-methyl-N-(4-propylcyclohexa-1,5-dien-1-yl)methanimidamide
CID 132185582

Frequently Asked Questions

What is the IUPAC name of (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine?
The IUPAC name of (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine (CID 143715495) is (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine.
What is the SMILES notation for (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine?
The canonical SMILES for (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine is C=C1NC=NC(=C/C)/C1=C\C(=C)C(C)C.
What is the InChIKey of (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine?
The InChIKey is JXXZWBILRVBQNH-UNUUJLFKSA-N. The full InChI is InChI=1S/C13H18N2/c1-6-13-12(7-10(4)9(2)3)11(5)14-8-15-13/h6-9H,4-5H2,1-3H3,(H,14,15)/b12-7-,13-6+.
What are the key properties of (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine?
(4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine has a molecular weight of 202.30 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5Z)-4-ethylidene-6-methylidene-5-(3-methyl-2-methylidenebutylidene)-1H-pyrimidine is sourced from PubChem (CID 143715495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).