2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine

C15H21N3O — CID 63204165

IUPAC2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccoc2)nc(C)c1C(C)C
InChIInChI=1S/C15H21N3O/c1-5-7-16-15-13(10(2)3)11(4)17-14(18-15)12-6-8-19-9-12/h6,8-10H,5,7H2,1-4H3,(H,16,17,18)
InChIKeyPETDPIPZAWLUDG-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.99
Rot. Bonds5

About 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine

2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 63204165) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID63204165
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccoc2)nc(C)c1C(C)C
InChIInChI=1S/C15H21N3O/c1-5-7-16-15-13(10(2)3)11(4)17-14(18-15)12-6-8-19-9-12/h6,8-10H,5,7H2,1-4H3,(H,16,17,18)
InChIKeyPETDPIPZAWLUDG-UHFFFAOYSA-N
XLogP3.99
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine (CID 63204165) is 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccoc2)nc(C)c1C(C)C.
What is the InChIKey of 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is PETDPIPZAWLUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-5-7-16-15-13(10(2)3)11(4)17-14(18-15)12-6-8-19-9-12/h6,8-10H,5,7H2,1-4H3,(H,16,17,18).
What are the key properties of 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine?
2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 259.35 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63204165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).