N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

C17H20FN3 — CID 133292662

IUPACN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCc3ccc(F)cc32)nc(C(C)C)n1
InChIInChI=1S/C17H20FN3/c1-10(2)17-19-11(3)8-16(21-17)20-15-7-5-12-4-6-13(18)9-14(12)15/h4,6,8-10,15H,5,7H2,1-3H3,(H,19,20,21)
InChIKeyUTAFCVPUOGTHEV-UHFFFAOYSA-N
MW285.37 g/mol
LogP4.15
Rot. Bonds3

About N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine

N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 133292662) has the molecular formula C17H20FN3 and a molecular weight of 285.37 g/mol. Its IUPAC name is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID133292662
Molecular FormulaC17H20FN3
Molecular Weight285.37 g/mol
Exact Mass285.16
IUPAC NameN-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine
SMILESCc1cc(NC2CCc3ccc(F)cc32)nc(C(C)C)n1
InChIInChI=1S/C17H20FN3/c1-10(2)17-19-11(3)8-16(21-17)20-15-7-5-12-4-6-13(18)9-14(12)15/h4,6,8-10,15H,5,7H2,1-3H3,(H,19,20,21)
InChIKeyUTAFCVPUOGTHEV-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-propan-2-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrimidin-4-amine
CID 60651523
(1S)-6-fluoro-N-[4-(6-methylpyridazin-3-yl)oxyphenyl]-2,3-dihydro-1H-inden-1-amine
CID 99813699
(2S)-1-[(6-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propan-2-ol
CID 103906577
4-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]cyclohexan-1-ol
CID 43395250
N-cyclopropyl-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 83907357
6-methyl-N-(3-methylcyclobutyl)-2-propan-2-ylpyrimidin-4-amine
CID 115697112
6-methyl-N-(2-methylcyclohexyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395279
2,3,5,6-tetrafluoro-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)pyridin-4-amine
CID 133371682
6-methyl-N-(2-methyloxan-4-yl)-2-propan-2-ylpyrimidin-4-amine
CID 103889167
(1S)-N-[(2R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-6-fluoro-2,3-dihydro-1H-inden-1-amine
CID 97322672
N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281627
1-N-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-2,3-dihydro-1H-indene-1,2-diamine
CID 63761795

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine (CID 133292662) is N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is Cc1cc(NC2CCc3ccc(F)cc32)nc(C(C)C)n1.
What is the InChIKey of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is UTAFCVPUOGTHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3/c1-10(2)17-19-11(3)8-16(21-17)20-15-7-5-12-4-6-13(18)9-14(12)15/h4,6,8-10,15H,5,7H2,1-3H3,(H,19,20,21).
What are the key properties of N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine?
N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 285.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2,3-dihydro-1H-inden-1-yl)-6-methyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 133292662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).