(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine

C12H17N3 — CID 89240737

IUPAC(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)N(C)C)c1ccnc(C)n1
InChIInChI=1S/C12H17N3/c1-6-11(9(2)15(4)5)12-7-8-13-10(3)14-12/h6-8H,1H2,2-5H3/b11-9+
InChIKeyLEWZAGFNQSMTTI-PKNBQFBNSA-N
MW203.29 g/mol
LogP2.26
Rot. Bonds3

About (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine

(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine (PubChem CID 89240737) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine
PubChem CID89240737
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine
SMILESC=C/C(=C(/C)N(C)C)c1ccnc(C)n1
InChIInChI=1S/C12H17N3/c1-6-11(9(2)15(4)5)12-7-8-13-10(3)14-12/h6-8H,1H2,2-5H3/b11-9+
InChIKeyLEWZAGFNQSMTTI-PKNBQFBNSA-N
XLogP2.26
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine?
The IUPAC name of (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine (CID 89240737) is (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine?
The canonical SMILES for (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine is C=C/C(=C(/C)N(C)C)c1ccnc(C)n1.
What is the InChIKey of (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine?
The InChIKey is LEWZAGFNQSMTTI-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H17N3/c1-6-11(9(2)15(4)5)12-7-8-13-10(3)14-12/h6-8H,1H2,2-5H3/b11-9+.
What are the key properties of (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine?
(2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine has a molecular weight of 203.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,N-dimethyl-3-(2-methylpyrimidin-4-yl)penta-2,4-dien-2-amine is sourced from PubChem (CID 89240737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).