N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine

C9H15N3O — CID 80859947

IUPACN,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
SMILESCNc1ncc(C)c(OC(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6(2)13-8-7(3)5-11-9(10-4)12-8/h5-6H,1-4H3,(H,10,11,12)
InChIKeySSGGCYOEUMJYEE-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.61
Rot. Bonds3

About N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine

N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 80859947) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
PubChem CID80859947
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine
SMILESCNc1ncc(C)c(OC(C)C)n1
InChIInChI=1S/C9H15N3O/c1-6(2)13-8-7(3)5-11-9(10-4)12-8/h5-6H,1-4H3,(H,10,11,12)
InChIKeySSGGCYOEUMJYEE-UHFFFAOYSA-N
XLogP1.61
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine (CID 80859947) is N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine is CNc1ncc(C)c(OC(C)C)n1.
What is the InChIKey of N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is SSGGCYOEUMJYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)13-8-7(3)5-11-9(10-4)12-8/h5-6H,1-4H3,(H,10,11,12).
What are the key properties of N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine?
N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 80859947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).