2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine

C23H32FN5 — CID 68665836

IUPAC2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Nc2nc(N[C@@H]3CCc4ccccc43)ncc2F)CC1(C)C
InChIInChI=1S/C23H32FN5/c1-22(2)12-16(13-23(3,4)29(22)5)26-20-18(24)14-25-21(28-20)27-19-11-10-15-8-6-7-9-17(15)19/h6-9,14,16,19H,10-13H2,1-5H3,(H2,25,26,27,28)/t19-/m1/s1
InChIKeyXMVGBSOTOPLJKU-LJQANCHMSA-N
MW397.54 g/mol
LogP4.78
Rot. Bonds4

About 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine

2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine (PubChem CID 68665836) has the molecular formula C23H32FN5 and a molecular weight of 397.54 g/mol. Its IUPAC name is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
PubChem CID68665836
Molecular FormulaC23H32FN5
Molecular Weight397.54 g/mol
Exact Mass397.26
IUPAC Name2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine
SMILESCN1C(C)(C)CC(Nc2nc(N[C@@H]3CCc4ccccc43)ncc2F)CC1(C)C
InChIInChI=1S/C23H32FN5/c1-22(2)12-16(13-23(3,4)29(22)5)26-20-18(24)14-25-21(28-20)27-19-11-10-15-8-6-7-9-17(15)19/h6-9,14,16,19H,10-13H2,1-5H3,(H2,25,26,27,28)/t19-/m1/s1
InChIKeyXMVGBSOTOPLJKU-LJQANCHMSA-N
XLogP4.78
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine (CID 68665836) is 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine is CN1C(C)(C)CC(Nc2nc(N[C@@H]3CCc4ccccc43)ncc2F)CC1(C)C.
What is the InChIKey of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
The InChIKey is XMVGBSOTOPLJKU-LJQANCHMSA-N. The full InChI is InChI=1S/C23H32FN5/c1-22(2)12-16(13-23(3,4)29(22)5)26-20-18(24)14-25-21(28-20)27-19-11-10-15-8-6-7-9-17(15)19/h6-9,14,16,19H,10-13H2,1-5H3,(H2,25,26,27,28)/t19-/m1/s1.
What are the key properties of 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine?
2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine has a molecular weight of 397.54 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-5-fluoro-4-N-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 68665836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).