(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine

C9H11N3 — CID 134443369

IUPAC(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
SMILESC=C/C=c1/ncnc(N)/c1=C/C
InChIInChI=1S/C9H11N3/c1-3-5-8-7(4-2)9(10)12-6-11-8/h3-6H,1H2,2H3,(H2,10,11,12)/b7-4+,8-5+
InChIKeyFPBXBRHBIPSCGP-NSLJXJERSA-N
MW161.21 g/mol
LogP-0.17
Rot. Bonds1

About (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine

(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine (PubChem CID 134443369) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine.

Molecular Properties

Compound Name(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
PubChem CID134443369
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine
SMILESC=C/C=c1/ncnc(N)/c1=C/C
InChIInChI=1S/C9H11N3/c1-3-5-8-7(4-2)9(10)12-6-11-8/h3-6H,1H2,2H3,(H2,10,11,12)/b7-4+,8-5+
InChIKeyFPBXBRHBIPSCGP-NSLJXJERSA-N
XLogP-0.17
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine?
The IUPAC name of (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine (CID 134443369) is (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine.
What is the SMILES notation for (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine?
The canonical SMILES for (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine is C=C/C=c1/ncnc(N)/c1=C/C.
What is the InChIKey of (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine?
The InChIKey is FPBXBRHBIPSCGP-NSLJXJERSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-5-8-7(4-2)9(10)12-6-11-8/h3-6H,1H2,2H3,(H2,10,11,12)/b7-4+,8-5+.
What are the key properties of (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine?
(5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine has a molecular weight of 161.21 g/mol, XLogP of -0.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6E)-5-ethylidene-6-prop-2-enylidenepyrimidin-4-amine is sourced from PubChem (CID 134443369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).