2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine

C9H14N4O — CID 116797194

IUPAC2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCC1OCCC1Nc1nccc(N)n1
InChIInChI=1S/C9H14N4O/c1-6-7(3-5-14-6)12-9-11-4-2-8(10)13-9/h2,4,6-7H,3,5H2,1H3,(H3,10,11,12,13)
InChIKeyBUEQXLYKRWMTRQ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds2

About 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine

2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (PubChem CID 116797194) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
PubChem CID116797194
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine
SMILESCC1OCCC1Nc1nccc(N)n1
InChIInChI=1S/C9H14N4O/c1-6-7(3-5-14-6)12-9-11-4-2-8(10)13-9/h2,4,6-7H,3,5H2,1H3,(H3,10,11,12,13)
InChIKeyBUEQXLYKRWMTRQ-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 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine (CID 116797194) is 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is CC1OCCC1Nc1nccc(N)n1.
What is the InChIKey of 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
The InChIKey is BUEQXLYKRWMTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-7(3-5-14-6)12-9-11-4-2-8(10)13-9/h2,4,6-7H,3,5H2,1H3,(H3,10,11,12,13).
What are the key properties of 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine?
2-N-(2-methyloxolan-3-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 2-N-(2-methyloxolan-3-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 116797194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).