N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine

C10H15N3 — CID 13027164

IUPACN,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(C)nc1NC
InChIInChI=1S/C10H15N3/c1-5-6-9-7(2)12-8(3)13-10(9)11-4/h5H,1,6H2,2-4H3,(H,11,12,13)
InChIKeyPQKKCERGZCUVFO-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.86
Rot. Bonds3

About N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine

N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine (PubChem CID 13027164) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound NameN,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine
PubChem CID13027164
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC NameN,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine
SMILESC=CCc1c(C)nc(C)nc1NC
InChIInChI=1S/C10H15N3/c1-5-6-9-7(2)12-8(3)13-10(9)11-4/h5H,1,6H2,2-4H3,(H,11,12,13)
InChIKeyPQKKCERGZCUVFO-UHFFFAOYSA-N
XLogP1.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.86
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 N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine?
The IUPAC name of N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine (CID 13027164) is N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine is C=CCc1c(C)nc(C)nc1NC.
What is the InChIKey of N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine?
The InChIKey is PQKKCERGZCUVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-6-9-7(2)12-8(3)13-10(9)11-4/h5H,1,6H2,2-4H3,(H,11,12,13).
What are the key properties of N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine?
N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine has a molecular weight of 177.25 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,6-trimethyl-5-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 13027164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).