1,4-dihydropyrimidin-5-ylmethanamine

C5H9N3 — CID 123426354

IUPAC1,4-dihydropyrimidin-5-ylmethanamine
SMILESNCC1=CNC=NC1
InChIInChI=1S/C5H9N3/c6-1-5-2-7-4-8-3-5/h2,4H,1,3,6H2,(H,7,8)
InChIKeyAKEVGAKCOQWDSG-UHFFFAOYSA-N
MW111.15 g/mol
LogP-0.54
Rot. Bonds1

About 1,4-dihydropyrimidin-5-ylmethanamine

1,4-dihydropyrimidin-5-ylmethanamine (PubChem CID 123426354) has the molecular formula C5H9N3 and a molecular weight of 111.15 g/mol. Its IUPAC name is 1,4-dihydropyrimidin-5-ylmethanamine.

Molecular Properties

Compound Name1,4-dihydropyrimidin-5-ylmethanamine
PubChem CID123426354
Molecular FormulaC5H9N3
Molecular Weight111.15 g/mol
Exact Mass111.08
IUPAC Name1,4-dihydropyrimidin-5-ylmethanamine
SMILESNCC1=CNC=NC1
InChIInChI=1S/C5H9N3/c6-1-5-2-7-4-8-3-5/h2,4H,1,3,6H2,(H,7,8)
InChIKeyAKEVGAKCOQWDSG-UHFFFAOYSA-N
XLogP-0.54
TPSA50.41 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 ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dimethyl-1,4-dihydropyrimidine
CID 57275033
5-(Trifluoromethyl)-1,4-dihydropyrimidine
CID 91135138
2-Fluoro-5-methyl-1,4-dihydropyrimidine
CID 147028247
5-Methyl-1,4-dihydropyrimidine
CID 57014191
5-Ethyl-1,4-dihydropyrimidine
CID 57274878
5-Methyl-1,4-dihydropyrimidin-2-amine
CID 68310657
N'-methyl-N-(2-methylbut-1-enyl)methanimidamide
CID 89934043
N,5-dimethyl-1,4-dihydropyrimidin-4-amine
CID 90452820
5-Prop-1-ynyl-1,4-dihydropyrimidine
CID 91801312
N'-methyl-N-[(E)-2-methylbut-1-enyl]methanimidamide
CID 117756155
N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide
CID 118973183
2-Chloro-5-methyl-1,4-dihydropyrimidine
CID 122675192

Frequently Asked Questions

What is the IUPAC name of 1,4-dihydropyrimidin-5-ylmethanamine?
The IUPAC name of 1,4-dihydropyrimidin-5-ylmethanamine (CID 123426354) is 1,4-dihydropyrimidin-5-ylmethanamine.
What is the SMILES notation for 1,4-dihydropyrimidin-5-ylmethanamine?
The canonical SMILES for 1,4-dihydropyrimidin-5-ylmethanamine is NCC1=CNC=NC1.
What is the InChIKey of 1,4-dihydropyrimidin-5-ylmethanamine?
The InChIKey is AKEVGAKCOQWDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3/c6-1-5-2-7-4-8-3-5/h2,4H,1,3,6H2,(H,7,8).
What are the key properties of 1,4-dihydropyrimidin-5-ylmethanamine?
1,4-dihydropyrimidin-5-ylmethanamine has a molecular weight of 111.15 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydropyrimidin-5-ylmethanamine is sourced from PubChem (CID 123426354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).