5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine

C10H13N3 — CID 143713847

IUPAC5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine
SMILESC=C/C(=C\C)Nc1ncc(C)cn1
InChIInChI=1S/C10H13N3/c1-4-9(5-2)13-10-11-6-8(3)7-12-10/h4-7H,1H2,2-3H3,(H,11,12,13)/b9-5+
InChIKeySVXFYRGIMWFGSQ-WEVVVXLNSA-N
MW175.23 g/mol
LogP2.29
Rot. Bonds3

About 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine

5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine (PubChem CID 143713847) has the molecular formula C10H13N3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine
PubChem CID143713847
Molecular FormulaC10H13N3
Molecular Weight175.23 g/mol
Exact Mass175.11
IUPAC Name5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine
SMILESC=C/C(=C\C)Nc1ncc(C)cn1
InChIInChI=1S/C10H13N3/c1-4-9(5-2)13-10-11-6-8(3)7-12-10/h4-7H,1H2,2-3H3,(H,11,12,13)/b9-5+
InChIKeySVXFYRGIMWFGSQ-WEVVVXLNSA-N
XLogP2.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
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 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine (CID 143713847) is 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine is C=C/C(=C\C)Nc1ncc(C)cn1.
What is the InChIKey of 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine?
The InChIKey is SVXFYRGIMWFGSQ-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H13N3/c1-4-9(5-2)13-10-11-6-8(3)7-12-10/h4-7H,1H2,2-3H3,(H,11,12,13)/b9-5+.
What are the key properties of 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine?
5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine has a molecular weight of 175.23 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3E)-penta-1,3-dien-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 143713847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).