N-methyl-1,4-dihydropyrimidin-4-amine

C5H9N3 — CID 90451864

IUPACN-methyl-1,4-dihydropyrimidin-4-amine
SMILESCNC1C=CNC=N1
InChIInChI=1S/C5H9N3/c1-6-5-2-3-7-4-8-5/h2-6H,1H3,(H,7,8)
InChIKeyNTHVWKJQQZFQNO-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.32
Rot. Bonds1

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

N-methyl-1,4-dihydropyrimidin-4-amine (PubChem CID 90451864) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is N-methyl-1,4-dihydropyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-1,4-dihydropyrimidin-4-amine
PubChem CID90451864
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC NameN-methyl-1,4-dihydropyrimidin-4-amine
SMILESCNC1C=CNC=N1
InChIInChI=1S/C5H9N3/c1-6-5-2-3-7-4-8-5/h2-6H,1H3,(H,7,8)
InChIKeyNTHVWKJQQZFQNO-UHFFFAOYSA-N
XLogP-0.32
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.15
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,4-dihydropyrimidin-4-amine?
The IUPAC name of N-methyl-1,4-dihydropyrimidin-4-amine (CID 90451864) is N-methyl-1,4-dihydropyrimidin-4-amine.
What is the SMILES notation for N-methyl-1,4-dihydropyrimidin-4-amine?
The canonical SMILES for N-methyl-1,4-dihydropyrimidin-4-amine is CNC1C=CNC=N1.
What is the InChIKey of N-methyl-1,4-dihydropyrimidin-4-amine?
The InChIKey is NTHVWKJQQZFQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c1-6-5-2-3-7-4-8-5/h2-6H,1H3,(H,7,8).
What are the key properties of N-methyl-1,4-dihydropyrimidin-4-amine?
N-methyl-1,4-dihydropyrimidin-4-amine has a molecular weight of 111.15 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,4-dihydropyrimidin-4-amine is sourced from PubChem (CID 90451864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).