N-methylpyrimidin-4-amine

C5H7N3 — CID 519971

IUPACN-methylpyrimidin-4-amine
SMILESCNc1ccncn1
InChIInChI=1S/C5H7N3/c1-6-5-2-3-7-4-8-5/h2-4H,1H3,(H,6,7,8)
InChIKeyVERCQLOBLOLFMW-UHFFFAOYSA-N
MW109.13 g/mol
LogP0.52
Rot. Bonds1

About N-methylpyrimidin-4-amine

N-methylpyrimidin-4-amine (PubChem CID 519971) has the molecular formula C5H7N3 and a molecular weight of 109.13 g/mol. Its IUPAC name is N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methylpyrimidin-4-amine
PubChem CID519971
Molecular FormulaC5H7N3
Molecular Weight109.13 g/mol
Exact Mass109.06
IUPAC NameN-methylpyrimidin-4-amine
SMILESCNc1ccncn1
InChIInChI=1S/C5H7N3/c1-6-5-2-3-7-4-8-5/h2-4H,1H3,(H,6,7,8)
InChIKeyVERCQLOBLOLFMW-UHFFFAOYSA-N
XLogP0.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.13
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methylpyrimidin-4-amine?
The IUPAC name of N-methylpyrimidin-4-amine (CID 519971) is N-methylpyrimidin-4-amine.
What is the SMILES notation for N-methylpyrimidin-4-amine?
The canonical SMILES for N-methylpyrimidin-4-amine is CNc1ccncn1.
What is the InChIKey of N-methylpyrimidin-4-amine?
The InChIKey is VERCQLOBLOLFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3/c1-6-5-2-3-7-4-8-5/h2-4H,1H3,(H,6,7,8).
What are the key properties of N-methylpyrimidin-4-amine?
N-methylpyrimidin-4-amine has a molecular weight of 109.13 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylpyrimidin-4-amine is sourced from PubChem (CID 519971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).