2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide

C23H23FN4O2 — CID 90314430

IUPAC2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide
SMILESNc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1
InChIInChI=1S/C23H23FN4O2/c24-21-11-14(5-10-19(21)15-12-26-23(25)27-13-15)18-3-1-2-4-20(18)22(30)28-16-6-8-17(29)9-7-16/h1-5,10-13,16-17,29H,6-9H2,(H,28,30)(H2,25,26,27)
InChIKeyCQCGACGTKPRAOK-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.57
Rot. Bonds4

About 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide

2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide (PubChem CID 90314430) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide.

Molecular Properties

Compound Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide
PubChem CID90314430
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide
SMILESNc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1
InChIInChI=1S/C23H23FN4O2/c24-21-11-14(5-10-19(21)15-12-26-23(25)27-13-15)18-3-1-2-4-20(18)22(30)28-16-6-8-17(29)9-7-16/h1-5,10-13,16-17,29H,6-9H2,(H,28,30)(H2,25,26,27)
InChIKeyCQCGACGTKPRAOK-UHFFFAOYSA-N
XLogP3.57
TPSA101.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(butylamino)-N-[(4-fluorophenyl)methyl]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 72793400
4-[[4-[(4-Hydroxycyclohexyl)amino]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 166632630
2-fluoro-N-(4-hydroxycyclohexyl)-4-[(1S)-1-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]benzamide
CID 71542093
2-(butylamino)-N-[2-(4-fluorophenyl)ethyl]-4-[(4-hydroxycyclohexyl)amino]pyrimidine-5-carboxamide
CID 72548343
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 90312744
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-5-(trifluoromethyl)-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide
CID 90312745
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-tert-butyl-5-(trifluoromethyl)benzamide
CID 90313324
4'-(2-Aminopyrimidin-5-yl)-3'-fluoro-N-[(1S)-2,2,2-trifluoro-1-methylethyl]biphenyl-2-carboxamide
CID 90313739
[2-[4-(2-Aminopyrimidin-5-yl)-3-fluorophenyl]-5-(trifluoromethyl)phenyl]-(4-hydroxypiperidin-1-yl)methanone
CID 90313848
5-[3-Fluoro-2'-(morpholin-4-ylcarbonyl)biphenyl-4-yl]pyrimidin-2-amine
CID 90314181
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 117849551
2-(butylamino)-4-[(4-hydroxycyclohexyl)amino]-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 117852002

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide?
The IUPAC name of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide (CID 90314430) is 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide.
What is the SMILES notation for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide?
The canonical SMILES for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide is Nc1ncc(-c2ccc(-c3ccccc3C(=O)NC3CCC(O)CC3)cc2F)cn1.
What is the InChIKey of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide?
The InChIKey is CQCGACGTKPRAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-21-11-14(5-10-19(21)15-12-26-23(25)27-13-15)18-3-1-2-4-20(18)22(30)28-16-6-8-17(29)9-7-16/h1-5,10-13,16-17,29H,6-9H2,(H,28,30)(H2,25,26,27).
What are the key properties of 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide?
2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]-N-(4-hydroxycyclohexyl)benzamide is sourced from PubChem (CID 90314430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).