4-(2,2-dimethylpropoxy)pyrimidin-2-amine

C9H15N3O — CID 122536474

IUPAC4-(2,2-dimethylpropoxy)pyrimidin-2-amine
SMILESCC(C)(C)COc1ccnc(N)n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)6-13-7-4-5-11-8(10)12-7/h4-5H,6H2,1-3H3,(H2,10,11,12)
InChIKeyPTQHPLMDWAMNLZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.48
Rot. Bonds2

About 4-(2,2-dimethylpropoxy)pyrimidin-2-amine

4-(2,2-dimethylpropoxy)pyrimidin-2-amine (PubChem CID 122536474) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropoxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpropoxy)pyrimidin-2-amine
PubChem CID122536474
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name4-(2,2-dimethylpropoxy)pyrimidin-2-amine
SMILESCC(C)(C)COc1ccnc(N)n1
InChIInChI=1S/C9H15N3O/c1-9(2,3)6-13-7-4-5-11-8(10)12-7/h4-5H,6H2,1-3H3,(H2,10,11,12)
InChIKeyPTQHPLMDWAMNLZ-UHFFFAOYSA-N
XLogP1.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropoxy)pyrimidin-2-amine?
The IUPAC name of 4-(2,2-dimethylpropoxy)pyrimidin-2-amine (CID 122536474) is 4-(2,2-dimethylpropoxy)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpropoxy)pyrimidin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpropoxy)pyrimidin-2-amine is CC(C)(C)COc1ccnc(N)n1.
What is the InChIKey of 4-(2,2-dimethylpropoxy)pyrimidin-2-amine?
The InChIKey is PTQHPLMDWAMNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)6-13-7-4-5-11-8(10)12-7/h4-5H,6H2,1-3H3,(H2,10,11,12).
What are the key properties of 4-(2,2-dimethylpropoxy)pyrimidin-2-amine?
4-(2,2-dimethylpropoxy)pyrimidin-2-amine has a molecular weight of 181.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropoxy)pyrimidin-2-amine is sourced from PubChem (CID 122536474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).