(5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine

C10H15N3 — CID 166783542

IUPAC(5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine
SMILESC/C=c1/c(N)ncn/c1=C(/C)CC
InChIInChI=1S/C10H15N3/c1-4-7(3)9-8(5-2)10(11)13-6-12-9/h5-6H,4H2,1-3H3,(H2,11,12,13)/b8-5+,9-7-
InChIKeyGMBVMAYQNDLSLV-KCGQVOQMSA-N
MW177.25 g/mol
LogP0.44
Rot. Bonds1

About (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine

(5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine (PubChem CID 166783542) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine.

Molecular Properties

Compound Name(5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine
PubChem CID166783542
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine
SMILESC/C=c1/c(N)ncn/c1=C(/C)CC
InChIInChI=1S/C10H15N3/c1-4-7(3)9-8(5-2)10(11)13-6-12-9/h5-6H,4H2,1-3H3,(H2,11,12,13)/b8-5+,9-7-
InChIKeyGMBVMAYQNDLSLV-KCGQVOQMSA-N
XLogP0.44
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine?
The IUPAC name of (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine (CID 166783542) is (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine.
What is the SMILES notation for (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine?
The canonical SMILES for (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine is C/C=c1/c(N)ncn/c1=C(/C)CC.
What is the InChIKey of (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine?
The InChIKey is GMBVMAYQNDLSLV-KCGQVOQMSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-7(3)9-8(5-2)10(11)13-6-12-9/h5-6H,4H2,1-3H3,(H2,11,12,13)/b8-5+,9-7-.
What are the key properties of (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine?
(5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,6Z)-6-butan-2-ylidene-5-ethylidenepyrimidin-4-amine is sourced from PubChem (CID 166783542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).