2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine

C15H21N3O — CID 80952417

IUPAC2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccco2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H21N3O/c1-5-8-16-13-10-11(12-7-6-9-19-12)17-14(18-13)15(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyCJPJZUGANUWWHX-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.86
Rot. Bonds4

About 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine

2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine (PubChem CID 80952417) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
PubChem CID80952417
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccco2)nc(C(C)(C)C)n1
InChIInChI=1S/C15H21N3O/c1-5-8-16-13-10-11(12-7-6-9-19-12)17-14(18-13)15(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18)
InChIKeyCJPJZUGANUWWHX-UHFFFAOYSA-N
XLogP3.86
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-6-phenyl-N-propylpyrimidin-4-amine
CID 63485214
6-(2-bromophenyl)-2-tert-butyl-N-propylpyrimidin-4-amine
CID 115503703
2-tert-butyl-6-(4-methyl-3-pyridinyl)-N-propylpyrimidin-4-amine
CID 80948737
2-tert-butyl-4-N-[2-(furan-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80960709
2-tert-butyl-4-N-propylpyrimidine-4,6-diamine
CID 80957078
6-(furan-2-yl)-N-methyl-2-propylpyrimidin-4-amine
CID 80945903
2-tert-butyl-6-(1-methylpyrazol-4-yl)-N-propylpyrimidin-4-amine
CID 80953067
2-tert-butyl-N-[2-(furan-2-yl)ethyl]-6-hydrazinylpyrimidin-4-amine
CID 80964340
2-tert-butyl-4-N-(3-methylpentan-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 106332144
2-tert-butyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955764
6-phenyl-N-propyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106769168
2-tert-butyl-4-N-(1-methylpyrazol-3-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80959824

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine (CID 80952417) is 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccco2)nc(C(C)(C)C)n1.
What is the InChIKey of 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine?
The InChIKey is CJPJZUGANUWWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-8-16-13-10-11(12-7-6-9-19-12)17-14(18-13)15(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,16,17,18).
What are the key properties of 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine?
2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-(furan-2-yl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80952417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).