(5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine

C9H13N3 — CID 166698021

IUPAC(5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine
SMILESC/C=c1/c(N)ncnc1=C(C)C
InChIInChI=1S/C9H13N3/c1-4-7-8(6(2)3)11-5-12-9(7)10/h4-5H,1-3H3,(H2,10,11,12)/b7-4+
InChIKeyURJBIWOHYJGDDF-QPJJXVBHSA-N
MW163.22 g/mol
LogP0.05
Rot. Bonds

About (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine

(5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine (PubChem CID 166698021) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine.

Molecular Properties

Compound Name(5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine
PubChem CID166698021
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine
SMILESC/C=c1/c(N)ncnc1=C(C)C
InChIInChI=1S/C9H13N3/c1-4-7-8(6(2)3)11-5-12-9(7)10/h4-5H,1-3H3,(H2,10,11,12)/b7-4+
InChIKeyURJBIWOHYJGDDF-QPJJXVBHSA-N
XLogP0.05
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine?
The IUPAC name of (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine (CID 166698021) is (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine.
What is the SMILES notation for (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine?
The canonical SMILES for (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine is C/C=c1/c(N)ncnc1=C(C)C.
What is the InChIKey of (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine?
The InChIKey is URJBIWOHYJGDDF-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-7-8(6(2)3)11-5-12-9(7)10/h4-5H,1-3H3,(H2,10,11,12)/b7-4+.
What are the key properties of (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine?
(5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine has a molecular weight of 163.22 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-6-propan-2-ylidenepyrimidin-4-amine is sourced from PubChem (CID 166698021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).