4-N-(oxan-4-yl)pyrimidine-2,4-diamine

C9H14N4O — CID 80790022

IUPAC4-N-(oxan-4-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(NC2CCOCC2)n1
InChIInChI=1S/C9H14N4O/c10-9-11-4-1-8(13-9)12-7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H3,10,11,12,13)
InChIKeyUXZWSYIDPVURTO-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds2

About 4-N-(oxan-4-yl)pyrimidine-2,4-diamine

4-N-(oxan-4-yl)pyrimidine-2,4-diamine (PubChem CID 80790022) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-N-(oxan-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(oxan-4-yl)pyrimidine-2,4-diamine
PubChem CID80790022
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-N-(oxan-4-yl)pyrimidine-2,4-diamine
SMILESNc1nccc(NC2CCOCC2)n1
InChIInChI=1S/C9H14N4O/c10-9-11-4-1-8(13-9)12-7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H3,10,11,12,13)
InChIKeyUXZWSYIDPVURTO-UHFFFAOYSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(oxan-4-yl)pyrimidine-2,4-diamine (CID 80790022) is 4-N-(oxan-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(oxan-4-yl)pyrimidine-2,4-diamine is Nc1nccc(NC2CCOCC2)n1.
What is the InChIKey of 4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
The InChIKey is UXZWSYIDPVURTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9-11-4-1-8(13-9)12-7-2-5-14-6-3-7/h1,4,7H,2-3,5-6H2,(H3,10,11,12,13).
What are the key properties of 4-N-(oxan-4-yl)pyrimidine-2,4-diamine?
4-N-(oxan-4-yl)pyrimidine-2,4-diamine has a molecular weight of 194.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxan-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80790022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).