4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

C9H14N4O — CID 78929749

IUPAC4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C9H14N4O/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-7/h4,6-7H,1-3,5H2,(H3,10,11,12,13)
InChIKeySCNUZFNRMASRGI-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds3

About 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine

4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 78929749) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
PubChem CID78929749
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
SMILESNc1cc(NCC2CCCO2)ncn1
InChIInChI=1S/C9H14N4O/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-7/h4,6-7H,1-3,5H2,(H3,10,11,12,13)
InChIKeySCNUZFNRMASRGI-UHFFFAOYSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
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-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine (CID 78929749) is 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is Nc1cc(NCC2CCCO2)ncn1.
What is the InChIKey of 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is SCNUZFNRMASRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-4-9(13-6-12-8)11-5-7-2-1-3-14-7/h4,6-7H,1-3,5H2,(H3,10,11,12,13).
What are the key properties of 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine?
4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 194.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 78929749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).