N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide

C19H22FN3O2S — CID 137281158

IUPACN-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O2S/c1-12-16(18(25)22-19(21-12)26-2)9-10-17(24)23(15-7-8-15)11-13-3-5-14(20)6-4-13/h3-6,15H,7-11H2,1-2H3,(H,21,22,25)
InChIKeyRZBLREAYZYLPOA-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.06
Rot. Bonds7

About N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 137281158) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
PubChem CID137281158
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
SMILESCSc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]1
InChIInChI=1S/C19H22FN3O2S/c1-12-16(18(25)22-19(21-12)26-2)9-10-17(24)23(15-7-8-15)11-13-3-5-14(20)6-4-13/h3-6,15H,7-11H2,1-2H3,(H,21,22,25)
InChIKeyRZBLREAYZYLPOA-UHFFFAOYSA-N
XLogP3.06
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 137294296
5-[3-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137316825
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N,N-dipropylpropanamide
CID 137309553
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 51302176
N-[2-(2-fluorophenoxy)ethyl]-N-methyl-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide
CID 137276080
3-(2-benzylsulfanyl-4-methyl-6-oxo-1H-pyrimidin-5-yl)-N-cyclohexyl-N-methylpropanamide
CID 135927540
N-cyclopropyl-3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 18164949
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-N-pyridin-4-ylpropanamide
CID 135956168
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 137284817
[(1R,2R)-2-methoxycyclohexyl] 3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanoate
CID 136702331
5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]pentanamide
CID 107909246

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 137281158) is N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide is CSc1nc(C)c(CCC(=O)N(Cc2ccc(F)cc2)C2CC2)c(=O)[nH]1.
What is the InChIKey of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is RZBLREAYZYLPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c1-12-16(18(25)22-19(21-12)26-2)9-10-17(24)23(15-7-8-15)11-13-3-5-14(20)6-4-13/h3-6,15H,7-11H2,1-2H3,(H,21,22,25).
What are the key properties of N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide?
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 375.47 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-(4-methyl-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 137281158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).