N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine

C5H11N3 — CID 56616842

IUPACN-methyl-1,2,5,6-tetrahydropyrimidin-2-amine
SMILESCNC1N=CCCN1
InChIInChI=1S/C5H11N3/c1-6-5-7-3-2-4-8-5/h3,5-6,8H,2,4H2,1H3
InChIKeyPNSRAXAUJBRGBY-UHFFFAOYSA-N
MW113.16 g/mol
LogP-0.45
Rot. Bonds1

About N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine

N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine (PubChem CID 56616842) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-methyl-1,2,5,6-tetrahydropyrimidin-2-amine
PubChem CID56616842
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-methyl-1,2,5,6-tetrahydropyrimidin-2-amine
SMILESCNC1N=CCCN1
InChIInChI=1S/C5H11N3/c1-6-5-7-3-2-4-8-5/h3,5-6,8H,2,4H2,1H3
InChIKeyPNSRAXAUJBRGBY-UHFFFAOYSA-N
XLogP-0.45
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine (CID 56616842) is N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine is CNC1N=CCCN1.
What is the InChIKey of N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is PNSRAXAUJBRGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3/c1-6-5-7-3-2-4-8-5/h3,5-6,8H,2,4H2,1H3.
What are the key properties of N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine?
N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 113.16 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,2,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 56616842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).