5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide

C19H14ClN3OS — CID 3313146

IUPAC5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C19H14ClN3OS/c1-25-19-21-10-15(20)17(23-19)18(24)22-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3,(H,22,24)
InChIKeyJNWFAKDPXFJSDS-UHFFFAOYSA-N
MW367.86 g/mol
LogP4.35
Rot. Bonds3

About 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide

5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide (PubChem CID 3313146) has the molecular formula C19H14ClN3OS and a molecular weight of 367.86 g/mol. Its IUPAC name is 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide
PubChem CID3313146
Molecular FormulaC19H14ClN3OS
Molecular Weight367.86 g/mol
Exact Mass367.05
IUPAC Name5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide
SMILESCSc1ncc(Cl)c(C(=O)NC2c3ccccc3-c3ccccc32)n1
InChIInChI=1S/C19H14ClN3OS/c1-25-19-21-10-15(20)17(23-19)18(24)22-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3,(H,22,24)
InChIKeyJNWFAKDPXFJSDS-UHFFFAOYSA-N
XLogP4.35
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[(1R,2S)-2-methylcyclohexyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 51928172
5-chloro-N-[2-(cyclopropylcarbamoyl)phenyl]-2-methylsulfanylpyrimidine-4-carboxamide
CID 43052974
5-chloro-N-(2,2-diphenylpropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 24653889
2-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 64812660
5-chloro-N-(3-methyl-2-pyridinyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6462899
5-chloro-2-methylsulfanyl-N-[(1S)-1-(4-phenylphenyl)ethyl]pyrimidine-4-carboxamide
CID 38036998
5-chloro-N-(2-hydroxypropyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 43418256
5-chloro-N'-(4,6-dimethylpyrimidin-2-yl)-2-methylsulfanylpyrimidine-4-carbohydrazide
CID 36809648
5-chloro-2-methylsulfanyl-N'-(2-nitrobenzoyl)pyrimidine-4-carbohydrazide
CID 35572798
5-chloro-N-(furan-2-ylmethyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 6463310
5-chloro-N-(3-iodophenyl)-2-methylsulfanylpyrimidine-4-carboxamide
CID 2983334
N-(2-bromoprop-2-enyl)-5-chloro-2-methylsulfanylpyrimidine-4-carboxamide
CID 115594421

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide (CID 3313146) is 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide is CSc1ncc(Cl)c(C(=O)NC2c3ccccc3-c3ccccc32)n1.
What is the InChIKey of 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
The InChIKey is JNWFAKDPXFJSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3OS/c1-25-19-21-10-15(20)17(23-19)18(24)22-16-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16/h2-10,16H,1H3,(H,22,24).
What are the key properties of 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide?
5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(9H-fluoren-9-yl)-2-methylsulfanylpyrimidine-4-carboxamide is sourced from PubChem (CID 3313146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).