2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine

C10H16N4O — CID 63726292

IUPAC2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCC2CCOCC2)nc1
InChIInChI=1S/C10H16N4O/c11-9-6-13-10(14-7-9)12-5-8-1-3-15-4-2-8/h6-8H,1-5,11H2,(H,12,13,14)
InChIKeyZWSJWSYYNCIGOK-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.90
Rot. Bonds3

About 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine

2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine (PubChem CID 63726292) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
PubChem CID63726292
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine
SMILESNc1cnc(NCC2CCOCC2)nc1
InChIInChI=1S/C10H16N4O/c11-9-6-13-10(14-7-9)12-5-8-1-3-15-4-2-8/h6-8H,1-5,11H2,(H,12,13,14)
InChIKeyZWSJWSYYNCIGOK-UHFFFAOYSA-N
XLogP0.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine?
The IUPAC name of 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine (CID 63726292) is 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine.
What is the SMILES notation for 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine?
The canonical SMILES for 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine is Nc1cnc(NCC2CCOCC2)nc1.
What is the InChIKey of 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine?
The InChIKey is ZWSJWSYYNCIGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-6-13-10(14-7-9)12-5-8-1-3-15-4-2-8/h6-8H,1-5,11H2,(H,12,13,14).
What are the key properties of 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine?
2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-ylmethyl)pyrimidine-2,5-diamine is sourced from PubChem (CID 63726292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).