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

C16H21FN4 — CID 80977475

IUPAC6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(-c2cncc(F)c2)c1C
InChIInChI=1S/C16H21FN4/c1-5-6-19-16-11(4)14(20-15(21-16)10(2)3)12-7-13(17)9-18-8-12/h7-10H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyLZYSPGLSOLVGJF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.93
Rot. Bonds5

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

6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80977475) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80977475
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(-c2cncc(F)c2)c1C
InChIInChI=1S/C16H21FN4/c1-5-6-19-16-11(4)14(20-15(21-16)10(2)3)12-7-13(17)9-18-8-12/h7-10H,5-6H2,1-4H3,(H,19,20,21)
InChIKeyLZYSPGLSOLVGJF-UHFFFAOYSA-N
XLogP3.93
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80975870
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80976660
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
5-[5-methyl-6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]pyridine-3-carbonitrile
CID 80976246
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
N-ethyl-5-methyl-2-propan-2-yl-6-(1-propylpyrazol-4-yl)pyrimidin-4-amine
CID 80977824
2-ethyl-6-(3-fluoro-4-methylphenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 115502692
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
5-methyl-6-(4-methylpyrazol-1-yl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80992723
6-(4-fluorophenyl)-5-methyl-N,2-dipropylpyrimidin-4-amine
CID 80977523

Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80977475) is 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(-c2cncc(F)c2)c1C.
What is the InChIKey of 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is LZYSPGLSOLVGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-5-6-19-16-11(4)14(20-15(21-16)10(2)3)12-7-13(17)9-18-8-12/h7-10H,5-6H2,1-4H3,(H,19,20,21).
What are the key properties of 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 288.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80977475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).