2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

C15H26N4O — CID 80961896

IUPAC2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCCCOC1CCCN(c2cc(N)nc(C(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-4-8-20-12-6-5-7-19(10-12)14-9-13(16)17-15(18-14)11(2)3/h9,11-12H,4-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyLHFCFUQVTXTWQQ-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.58
Rot. Bonds5

About 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine

2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 80961896) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID80961896
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCCCOC1CCCN(c2cc(N)nc(C(C)C)n2)C1
InChIInChI=1S/C15H26N4O/c1-4-8-20-12-6-5-7-19(10-12)14-9-13(16)17-15(18-14)11(2)3/h9,11-12H,4-8,10H2,1-3H3,(H2,16,17,18)
InChIKeyLHFCFUQVTXTWQQ-UHFFFAOYSA-N
XLogP2.58
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine (CID 80961896) is 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine is CCCOC1CCCN(c2cc(N)nc(C(C)C)n2)C1.
What is the InChIKey of 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is LHFCFUQVTXTWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-4-8-20-12-6-5-7-19(10-12)14-9-13(16)17-15(18-14)11(2)3/h9,11-12H,4-8,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine?
2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 80961896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).