4-methyl-6-prop-1-ynylpyrimidin-2-amine

C8H9N3 — CID 45078977

IUPAC4-methyl-6-prop-1-ynylpyrimidin-2-amine
SMILESCC#Cc1cc(C)nc(N)n1
InChIInChI=1S/C8H9N3/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,1-2H3,(H2,9,10,11)
InChIKeyWEPPNBSCTKJETR-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.74
Rot. Bonds

About 4-methyl-6-prop-1-ynylpyrimidin-2-amine

4-methyl-6-prop-1-ynylpyrimidin-2-amine (PubChem CID 45078977) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-methyl-6-prop-1-ynylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-prop-1-ynylpyrimidin-2-amine
PubChem CID45078977
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4-methyl-6-prop-1-ynylpyrimidin-2-amine
SMILESCC#Cc1cc(C)nc(N)n1
InChIInChI=1S/C8H9N3/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,1-2H3,(H2,9,10,11)
InChIKeyWEPPNBSCTKJETR-UHFFFAOYSA-N
XLogP0.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-prop-1-ynylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-prop-1-ynylpyrimidin-2-amine (CID 45078977) is 4-methyl-6-prop-1-ynylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-prop-1-ynylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-prop-1-ynylpyrimidin-2-amine is CC#Cc1cc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-prop-1-ynylpyrimidin-2-amine?
The InChIKey is WEPPNBSCTKJETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-3-4-7-5-6(2)10-8(9)11-7/h5H,1-2H3,(H2,9,10,11).
What are the key properties of 4-methyl-6-prop-1-ynylpyrimidin-2-amine?
4-methyl-6-prop-1-ynylpyrimidin-2-amine has a molecular weight of 147.18 g/mol, XLogP of 0.74, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-prop-1-ynylpyrimidin-2-amine is sourced from PubChem (CID 45078977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).