3-methyl-4H-pyrimidin-4-amine

C5H9N3 — CID 45116685

IUPAC3-methyl-4H-pyrimidin-4-amine
SMILESCN1C=NC=CC1N
InChIInChI=1S/C5H9N3/c1-8-4-7-3-2-5(8)6/h2-5H,6H2,1H3
InChIKeyKXSXRWKXZMAWMI-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.24
Rot. Bonds

About 3-methyl-4H-pyrimidin-4-amine

3-methyl-4H-pyrimidin-4-amine (PubChem CID 45116685) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 3-methyl-4H-pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-4H-pyrimidin-4-amine
PubChem CID45116685
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name3-methyl-4H-pyrimidin-4-amine
SMILESCN1C=NC=CC1N
InChIInChI=1S/C5H9N3/c1-8-4-7-3-2-5(8)6/h2-5H,6H2,1H3
InChIKeyKXSXRWKXZMAWMI-UHFFFAOYSA-N
XLogP-0.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-pyrimidin-4-amine?
The IUPAC name of 3-methyl-4H-pyrimidin-4-amine (CID 45116685) is 3-methyl-4H-pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-4H-pyrimidin-4-amine?
The canonical SMILES for 3-methyl-4H-pyrimidin-4-amine is CN1C=NC=CC1N.
What is the InChIKey of 3-methyl-4H-pyrimidin-4-amine?
The InChIKey is KXSXRWKXZMAWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-8-4-7-3-2-5(8)6/h2-5H,6H2,1H3.
What are the key properties of 3-methyl-4H-pyrimidin-4-amine?
3-methyl-4H-pyrimidin-4-amine has a molecular weight of 111.15 g/mol, XLogP of -0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-pyrimidin-4-amine is sourced from PubChem (CID 45116685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).