6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine

C14H23N3O — CID 79363085

IUPAC6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
SMILESCCCOc1cc(NC2C(C)(C)C2(C)C)ncn1
InChIInChI=1S/C14H23N3O/c1-6-7-18-11-8-10(15-9-16-11)17-12-13(2,3)14(12,4)5/h8-9,12H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyHRGJYNBZTQYCEI-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.11
Rot. Bonds5

About 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine

6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine (PubChem CID 79363085) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
PubChem CID79363085
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
SMILESCCCOc1cc(NC2C(C)(C)C2(C)C)ncn1
InChIInChI=1S/C14H23N3O/c1-6-7-18-11-8-10(15-9-16-11)17-12-13(2,3)14(12,4)5/h8-9,12H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyHRGJYNBZTQYCEI-UHFFFAOYSA-N
XLogP3.11
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
The IUPAC name of 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine (CID 79363085) is 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
The canonical SMILES for 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine is CCCOc1cc(NC2C(C)(C)C2(C)C)ncn1.
What is the InChIKey of 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
The InChIKey is HRGJYNBZTQYCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-6-7-18-11-8-10(15-9-16-11)17-12-13(2,3)14(12,4)5/h8-9,12H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine?
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine has a molecular weight of 249.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine is sourced from PubChem (CID 79363085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).