6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine

C15H27N3O — CID 102989487

IUPAC6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)CCC)c1C(C)C
InChIInChI=1S/C15H27N3O/c1-6-8-12(5)19-15-13(11(3)4)14(16-9-7-2)17-10-18-15/h10-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyJJGGWKLVAMOVPZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.99
Rot. Bonds8

About 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine

6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 102989487) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID102989487
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OC(C)CCC)c1C(C)C
InChIInChI=1S/C15H27N3O/c1-6-8-12(5)19-15-13(11(3)4)14(16-9-7-2)17-10-18-15/h10-12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyJJGGWKLVAMOVPZ-UHFFFAOYSA-N
XLogP3.99
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 102989487) is 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1ncnc(OC(C)CCC)c1C(C)C.
What is the InChIKey of 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is JJGGWKLVAMOVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-6-8-12(5)19-15-13(11(3)4)14(16-9-7-2)17-10-18-15/h10-12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine?
6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 265.40 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yloxy-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 102989487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).