2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine

C14H25N3O — CID 82456857

IUPAC2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-7-8-18-12-9-11(15-10(2)3)16-13(17-12)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyNWWBTROICRLDRP-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.38
Rot. Bonds5

About 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine

2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine (PubChem CID 82456857) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
PubChem CID82456857
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine
SMILESCCCOc1cc(NC(C)C)nc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O/c1-7-8-18-12-9-11(15-10(2)3)16-13(17-12)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16,17)
InChIKeyNWWBTROICRLDRP-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine (CID 82456857) is 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine is CCCOc1cc(NC(C)C)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine?
The InChIKey is NWWBTROICRLDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-7-8-18-12-9-11(15-10(2)3)16-13(17-12)14(4,5)6/h9-10H,7-8H2,1-6H3,(H,15,16,17).
What are the key properties of 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine?
2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propan-2-yl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82456857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).