2-imino-1-methylpyrimidin-4-amine

C5H8N4 — CID 101145593

IUPAC2-imino-1-methylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N)ccn1C
InChIInChI=1S/C5H8N4/c1-9-3-2-4(6)8-5(9)7/h2-3H,1H3,(H3,6,7,8)
InChIKeyCOHMNJBAKKBZHM-UHFFFAOYSA-N
MW124.15 g/mol
LogP-0.52
Rot. Bonds

About 2-imino-1-methylpyrimidin-4-amine

2-imino-1-methylpyrimidin-4-amine (PubChem CID 101145593) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is 2-imino-1-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-imino-1-methylpyrimidin-4-amine
PubChem CID101145593
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name2-imino-1-methylpyrimidin-4-amine
SMILES[H]/N=c1\nc(N)ccn1C
InChIInChI=1S/C5H8N4/c1-9-3-2-4(6)8-5(9)7/h2-3H,1H3,(H3,6,7,8)
InChIKeyCOHMNJBAKKBZHM-UHFFFAOYSA-N
XLogP-0.52
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylpyrimidin-4-amine?
The IUPAC name of 2-imino-1-methylpyrimidin-4-amine (CID 101145593) is 2-imino-1-methylpyrimidin-4-amine.
What is the SMILES notation for 2-imino-1-methylpyrimidin-4-amine?
The canonical SMILES for 2-imino-1-methylpyrimidin-4-amine is [H]/N=c1\nc(N)ccn1C.
What is the InChIKey of 2-imino-1-methylpyrimidin-4-amine?
The InChIKey is COHMNJBAKKBZHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4/c1-9-3-2-4(6)8-5(9)7/h2-3H,1H3,(H3,6,7,8).
What are the key properties of 2-imino-1-methylpyrimidin-4-amine?
2-imino-1-methylpyrimidin-4-amine has a molecular weight of 124.15 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylpyrimidin-4-amine is sourced from PubChem (CID 101145593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).