9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate

C20H17N3O3 — CID 21338103

IUPAC9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate
SMILESCn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O
InChIInChI=1S/C20H17N3O3/c1-23-11-10-18(21-19(23)24)22-20(25)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-11,17H,12H2,1H3,(H,21,22,24,25)
InChIKeyWUKNWNHPFKWWKV-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.14
Rot. Bonds3

About 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate

9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate (PubChem CID 21338103) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate
PubChem CID21338103
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate
SMILESCn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O
InChIInChI=1S/C20H17N3O3/c1-23-11-10-18(21-19(23)24)22-20(25)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-11,17H,12H2,1H3,(H,21,22,24,25)
InChIKeyWUKNWNHPFKWWKV-UHFFFAOYSA-N
XLogP3.14
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9H-fluoren-9-ylmethyl N-(9-methyl-6-oxo-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-methylpurin-6-yl)carbamate;methane
CID 157137710
9H-fluoren-9-ylmethyl N-benzoylcarbamate
CID 10020316
9H-fluoren-9-ylmethyl N-[(E)-1-hydroxyprop-1-en-2-yl]carbamate
CID 138478780
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[4-[[(4-methoxyphenyl)-diphenylmethyl]amino]-2-oxopyrimidin-1-yl]propanoic acid
CID 101196623
9H-fluoren-9-ylmethyl N-(methylamino)carbamate
CID 10516035
9H-fluoren-9-ylmethyl N-(4-aminophenyl)carbamate
CID 11450338
9H-fluoren-9-ylmethyl N-aminocarbamate;hydrochloride
CID 23080809
9H-fluoren-9-ylmethyl N-iodocarbamate
CID 118176347
9H-fluoren-9-ylmethyl N-(6-oxo-9-propan-2-yl-1H-purin-2-yl)carbamate;9H-fluoren-9-ylmethyl N-(2-oxo-1-propan-2-ylpyrimidin-4-yl)carbamate;9H-fluoren-9-ylmethyl N-(9-propan-2-ylpurin-6-yl)carbamate
CID 161456477
9H-fluoren-9-ylmethyl N-(2,4,5-trimethylphenyl)carbamate
CID 143777566
methyl 2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoate
CID 23541145
2-(9H-fluoren-9-ylmethoxycarbonyl(15N)amino)-3-methylbutanoic acid
CID 138112851

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate (CID 21338103) is 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate is Cn1ccc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1=O.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate?
The InChIKey is WUKNWNHPFKWWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-23-11-10-18(21-19(23)24)22-20(25)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-11,17H,12H2,1H3,(H,21,22,24,25).
What are the key properties of 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate?
9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate has a molecular weight of 347.37 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-(1-methyl-2-oxopyrimidin-4-yl)carbamate is sourced from PubChem (CID 21338103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).