2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine

C10H15N3 — CID 130512695

IUPAC2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C)nc(CC)n1
InChIInChI=1S/C10H15N3/c1-4-6-11-10-7-8(3)12-9(5-2)13-10/h4,7H,1,5-6H2,2-3H3,(H,11,12,13)
InChIKeyYQPKOZYAIGEVPV-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds4

About 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine

2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 130512695) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
PubChem CID130512695
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C)nc(CC)n1
InChIInChI=1S/C10H15N3/c1-4-6-11-10-7-8(3)12-9(5-2)13-10/h4,7H,1,5-6H2,2-3H3,(H,11,12,13)
InChIKeyYQPKOZYAIGEVPV-UHFFFAOYSA-N
XLogP1.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine (CID 130512695) is 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(C)nc(CC)n1.
What is the InChIKey of 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is YQPKOZYAIGEVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-4-6-11-10-7-8(3)12-9(5-2)13-10/h4,7H,1,5-6H2,2-3H3,(H,11,12,13).
What are the key properties of 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine?
2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 130512695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).