6-methyl-1,4-dihydropyrimidin-4-amine

C5H9N3 — CID 90454007

IUPAC6-methyl-1,4-dihydropyrimidin-4-amine
SMILESCC1=CC(N)N=CN1
InChIInChI=1S/C5H9N3/c1-4-2-5(6)8-3-7-4/h2-3,5H,6H2,1H3,(H,7,8)
InChIKeySWLMJDDTJINRRU-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.19
Rot. Bonds

About 6-methyl-1,4-dihydropyrimidin-4-amine

6-methyl-1,4-dihydropyrimidin-4-amine (PubChem CID 90454007) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 6-methyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-1,4-dihydropyrimidin-4-amine
PubChem CID90454007
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name6-methyl-1,4-dihydropyrimidin-4-amine
SMILESCC1=CC(N)N=CN1
InChIInChI=1S/C5H9N3/c1-4-2-5(6)8-3-7-4/h2-3,5H,6H2,1H3,(H,7,8)
InChIKeySWLMJDDTJINRRU-UHFFFAOYSA-N
XLogP-0.19
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of 6-methyl-1,4-dihydropyrimidin-4-amine (CID 90454007) is 6-methyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for 6-methyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for 6-methyl-1,4-dihydropyrimidin-4-amine is CC1=CC(N)N=CN1.
What is the InChIKey of 6-methyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is SWLMJDDTJINRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-4-2-5(6)8-3-7-4/h2-3,5H,6H2,1H3,(H,7,8).
What are the key properties of 6-methyl-1,4-dihydropyrimidin-4-amine?
6-methyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 111.15 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 90454007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).