(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine

C8H9N3 — CID 89326494

IUPAC(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine
SMILESC=C/C=c1/cncn/c1=C/N
InChIInChI=1S/C8H9N3/c1-2-3-7-5-10-6-11-8(7)4-9/h2-6H,1,9H2/b7-3-,8-4+
InChIKeyIPQAWFKZQSSDTC-KYPMKJFLSA-N
MW147.18 g/mol
LogP-0.86
Rot. Bonds1

About (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine

(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine (PubChem CID 89326494) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine.

Molecular Properties

Compound Name(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine
PubChem CID89326494
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine
SMILESC=C/C=c1/cncn/c1=C/N
InChIInChI=1S/C8H9N3/c1-2-3-7-5-10-6-11-8(7)4-9/h2-6H,1,9H2/b7-3-,8-4+
InChIKeyIPQAWFKZQSSDTC-KYPMKJFLSA-N
XLogP-0.86
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8H-pyrimido[4,5-c]azepine
CID 45080292
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
(1Z)-2-[(Z)-(2-methylidene-3-pyridinylidene)methyl]buta-1,3-dien-1-amine
CID 88962072
(E,3E)-3-(3-methylidene-2-pyridinylidene)prop-1-en-1-amine
CID 89153869
(E)-[(3Z)-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89227410
(E)-[(3Z)-5-methyl-3-prop-2-enylidene-2-pyridinylidene]methanamine
CID 89263427
(Z,3Z)-3-(2-methylidene-3-pyridinylidene)prop-1-en-1-amine
CID 89272141
(4E,5E)-4-ethylidene-5-prop-2-enylidenepyrimidine
CID 117650593
(4E,5E)-4-ethylidene-N-methyl-5-prop-2-enylidenepyrimidin-2-amine
CID 130343762

Frequently Asked Questions

What is the IUPAC name of (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine?
The IUPAC name of (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine (CID 89326494) is (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine.
What is the SMILES notation for (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine?
The canonical SMILES for (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine is C=C/C=c1/cncn/c1=C/N.
What is the InChIKey of (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine?
The InChIKey is IPQAWFKZQSSDTC-KYPMKJFLSA-N. The full InChI is InChI=1S/C8H9N3/c1-2-3-7-5-10-6-11-8(7)4-9/h2-6H,1,9H2/b7-3-,8-4+.
What are the key properties of (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine?
(E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine has a molecular weight of 147.18 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-[(5E)-5-prop-2-enylidenepyrimidin-4-ylidene]methanamine is sourced from PubChem (CID 89326494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).