2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine

C10H16N4O — CID 112709154

IUPAC2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine
SMILESCC(CN)N(c1cncnc1)C1COC1
InChIInChI=1S/C10H16N4O/c1-8(2-11)14(10-5-15-6-10)9-3-12-7-13-4-9/h3-4,7-8,10H,2,5-6,11H2,1H3
InChIKeyNFZQANLQWWGISH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.03
Rot. Bonds4

About 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine

2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine (PubChem CID 112709154) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine
PubChem CID112709154
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine
SMILESCC(CN)N(c1cncnc1)C1COC1
InChIInChI=1S/C10H16N4O/c1-8(2-11)14(10-5-15-6-10)9-3-12-7-13-4-9/h3-4,7-8,10H,2,5-6,11H2,1H3
InChIKeyNFZQANLQWWGISH-UHFFFAOYSA-N
XLogP0.03
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine?
The IUPAC name of 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine (CID 112709154) is 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine.
What is the SMILES notation for 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine?
The canonical SMILES for 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine is CC(CN)N(c1cncnc1)C1COC1.
What is the InChIKey of 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine?
The InChIKey is NFZQANLQWWGISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-8(2-11)14(10-5-15-6-10)9-3-12-7-13-4-9/h3-4,7-8,10H,2,5-6,11H2,1H3.
What are the key properties of 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine?
2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxetan-3-yl)-2-N-pyrimidin-5-ylpropane-1,2-diamine is sourced from PubChem (CID 112709154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).