(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine

C10H13N3 — CID 130343762

IUPAC(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
SMILESC=C/C=c1/cnc(NC)n/c1=C/C
InChIInChI=1S/C10H13N3/c1-4-6-8-7-12-10(11-3)13-9(8)5-2/h4-7H,1H2,2-3H3,(H,11,13)/b8-6-,9-5+
InChIKeyVBLJCKFBBQEPDG-POEMVANMSA-N
MW175.23 g/mol
LogP0.29
Rot. Bonds2

About (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine

(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine (PubChem CID 130343762) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
PubChem CID130343762
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
SMILESC=C/C=c1/cnc(NC)n/c1=C/C
InChIInChI=1S/C10H13N3/c1-4-6-8-7-12-10(11-3)13-9(8)5-2/h4-7H,1H2,2-3H3,(H,11,13)/b8-6-,9-5+
InChIKeyVBLJCKFBBQEPDG-POEMVANMSA-N
XLogP0.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8H-pyrimido[4,5-c]azepine
CID 45080292
(Z,2E)-2-(6-chloro-1H-pyrimidin-4-ylidene)pent-3-enimidoyl fluoride
CID 178151787
4-N,4-N-dimethyl-6-(2-methylidene-3-pyridinylidene)-1H-1,3,5-triazine-2,4-diamine
CID 137246537
6H-pyrimido[5,4-c]azepine
CID 45080176
6H-pyrimido[4,5-d][2]benzazepine
CID 70499014
6H-pyrimido[5,4-d][2]benzazepine
CID 87425228
(Z)-[(2E)-5-methyl-2-prop-2-enylidene-3-pyridinylidene]methanamine
CID 88563059
(E)-[(3Z)-5-methyl-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89263427
(4E,5E)-4,5-di(ethylidene)pyrimidine
CID 89264943
(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine
CID 89326494
5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
(5E)-5-[(Z)-but-2-enylidene]-4-propan-2-ylidenepyrimidine
CID 89385025

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine?
The IUPAC name of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine (CID 130343762) is (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine.
What is the SMILES notation for (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine?
The canonical SMILES for (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine is C=C/C=c1/cnc(NC)n/c1=C/C.
What is the InChIKey of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine?
The InChIKey is VBLJCKFBBQEPDG-POEMVANMSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-6-8-7-12-10(11-3)13-9(8)5-2/h4-7H,1H2,2-3H3,(H,11,13)/b8-6-,9-5+.
What are the key properties of (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine?
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine is sourced from PubChem (CID 130343762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).