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

C24H24ClN3O5 — CID 171886627

IUPAC9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
SMILESCOc1nc(Cl)ncc1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H24ClN3O5/c1-32-22-18(12-27-23(25)28-22)21(30)20(29)10-11-26-24(31)33-13-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,12,19-21,29-30H,10-11,13H2,1H3,(H,26,31)
InChIKeyPOEKCSWGJLRCQY-UHFFFAOYSA-N
MW469.93 g/mol
LogP3.46
Rot. Bonds8

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

9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171886627) has the molecular formula C24H24ClN3O5 and a molecular weight of 469.93 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
PubChem CID171886627
Molecular FormulaC24H24ClN3O5
Molecular Weight469.93 g/mol
Exact Mass469.14
IUPAC Name9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate
SMILESCOc1nc(Cl)ncc1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C24H24ClN3O5/c1-32-22-18(12-27-23(25)28-22)21(30)20(29)10-11-26-24(31)33-13-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,12,19-21,29-30H,10-11,13H2,1H3,(H,26,31)
InChIKeyPOEKCSWGJLRCQY-UHFFFAOYSA-N
XLogP3.46
TPSA113.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate with MolForge

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Related Compounds

9H-fluoren-9-ylmethyl N-[3-(2-chloro-4-methylpyrimidin-5-yl)-2,3-dihydroxypropyl]carbamate
CID 170833811
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-hydroxy-3-methoxyphenyl)butyl]carbamate
CID 171886502
methyl 5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyrimidine-2-carboxylate
CID 171887008
9H-fluoren-9-ylmethyl N-[4-(3-amino-6-chloropyridazin-4-yl)-3,4-dihydroxybutyl]carbamate
CID 171886431
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(2-methylthiophen-3-yl)butyl]carbamate
CID 171886024
9H-fluoren-9-ylmethyl N-[4-(2-ethoxyphenyl)-3,4-dihydroxybutyl]carbamate
CID 171886565
methyl 6-amino-5-[4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxybutyl]pyridine-3-carboxylate
CID 171887266
9H-fluoren-9-ylmethyl N-[4-(5,6-dichloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886378
9H-fluoren-9-ylmethyl N-[4-(2,6-difluoro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171886389
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-methylphenyl)butyl]carbamate
CID 171886058
9H-fluoren-9-ylmethyl N-[3,4-dihydroxy-4-(4-propan-2-ylphenyl)butyl]carbamate
CID 171886469
9H-fluoren-9-ylmethyl N-[4-(2-fluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171886050

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate (CID 171886627) is 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate is COc1nc(Cl)ncc1C(O)C(O)CCNC(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is POEKCSWGJLRCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O5/c1-32-22-18(12-27-23(25)28-22)21(30)20(29)10-11-26-24(31)33-13-19-16-8-4-2-6-14(16)15-7-3-5-9-17(15)19/h2-9,12,19-21,29-30H,10-11,13H2,1H3,(H,26,31).
What are the key properties of 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate?
9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 469.93 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[4-(2-chloro-4-methoxypyrimidin-5-yl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171886627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).