9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate

C23H22ClN3O4 — CID 170833811

IUPAC9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
SMILESCc1nc(Cl)ncc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H22ClN3O4/c1-13-18(10-25-22(24)27-13)21(29)20(28)11-26-23(30)31-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-10,19-21,28-29H,11-12H2,1H3,(H,26,30)
InChIKeyZZDUCIGWOJWERF-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.37
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate (PubChem CID 170833811) has the molecular formula C23H22ClN3O4 and a molecular weight of 439.90 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
PubChem CID170833811
Molecular FormulaC23H22ClN3O4
Molecular Weight439.90 g/mol
Exact Mass439.13
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
SMILESCc1nc(Cl)ncc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C23H22ClN3O4/c1-13-18(10-25-22(24)27-13)21(29)20(28)11-26-23(30)31-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-10,19-21,28-29H,11-12H2,1H3,(H,26,30)
InChIKeyZZDUCIGWOJWERF-UHFFFAOYSA-N
XLogP3.37
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate 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

9H-fluoren-9-ylmethyl N-[3-(2,6-dimethyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833908
9H-fluoren-9-ylmethyl N-[2,3-dihydroxy-3-(2-methylphenyl)propyl]carbamate
CID 170833599
9H-fluoren-9-ylmethyl N-[3-(2-chloro-3-methylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833706
9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
CID 171886627
9H-fluoren-9-ylmethyl N-[3-(2,5-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833729
9H-fluoren-9-ylmethyl N-[3-(2,6-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833738
9H-fluoren-9-ylmethyl N-[3-(5-chloropyrazolo[1,5-a]pyrimidin-3-yl)-2,3-dihydroxypropyl]carbamate
CID 170834414
9H-fluoren-9-ylmethyl N-(2,3-dihydroxy-3-naphthalen-1-ylpropyl)carbamate
CID 170834360
9H-fluoren-9-ylmethyl N-[3-(3-chloro-2-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170833747
9H-fluoren-9-ylmethyl N-[3-(3,5-dimethyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 170833909
9H-fluoren-9-ylmethyl N-[3-(2,6-dimethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 170833730
9H-fluoren-9-ylmethyl N-[3-(2-amino-3,5-dichlorophenyl)-2,3-dihydroxypropyl]carbamate
CID 170834242

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate (CID 170833811) is 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate is Cc1nc(Cl)ncc1C(O)C(O)CNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is ZZDUCIGWOJWERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4/c1-13-18(10-25-22(24)27-13)21(29)20(28)11-26-23(30)31-12-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-10,19-21,28-29H,11-12H2,1H3,(H,26,30).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 439.90 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 170833811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).