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

C11H18N4O — CID 83040106

IUPAC4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2ccnc(N)n2)CCO1
InChIInChI=1S/C11H18N4O/c1-11(2)7-8(4-6-16-11)14-9-3-5-13-10(12)15-9/h3,5,8H,4,6-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyHXCSTIYJTLSZCG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.43
Rot. Bonds2

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

4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine (PubChem CID 83040106) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
PubChem CID83040106
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine
SMILESCC1(C)CC(Nc2ccnc(N)n2)CCO1
InChIInChI=1S/C11H18N4O/c1-11(2)7-8(4-6-16-11)14-9-3-5-13-10(12)15-9/h3,5,8H,4,6-7H2,1-2H3,(H3,12,13,14,15)
InChIKeyHXCSTIYJTLSZCG-UHFFFAOYSA-N
XLogP1.43
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine (CID 83040106) is 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine is CC1(C)CC(Nc2ccnc(N)n2)CCO1.
What is the InChIKey of 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine?
The InChIKey is HXCSTIYJTLSZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)7-8(4-6-16-11)14-9-3-5-13-10(12)15-9/h3,5,8H,4,6-7H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine?
4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethyloxan-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83040106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).