N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide

C19H31N3O2S — CID 136705774

IUPACN-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)NC2CCCCCCCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C19H31N3O2S/c1-25-14-17-21-16(13-18(23)22-17)19(24)20-15-11-9-7-5-3-2-4-6-8-10-12-15/h13,15H,2-12,14H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyCHGMHGWHRDKIAO-UHFFFAOYSA-N
MW365.54 g/mol
LogP4.04
Rot. Bonds4

About N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide

N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 136705774) has the molecular formula C19H31N3O2S and a molecular weight of 365.54 g/mol. Its IUPAC name is N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID136705774
Molecular FormulaC19H31N3O2S
Molecular Weight365.54 g/mol
Exact Mass365.21
IUPAC NameN-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
SMILESCSCc1nc(C(=O)NC2CCCCCCCCCCC2)cc(=O)[nH]1
InChIInChI=1S/C19H31N3O2S/c1-25-14-17-21-16(13-18(23)22-17)19(24)20-15-11-9-7-5-3-2-4-6-8-10-12-15/h13,15H,2-12,14H2,1H3,(H,20,24)(H,21,22,23)
InChIKeyCHGMHGWHRDKIAO-UHFFFAOYSA-N
XLogP4.04
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylsulfanylmethyl)-6-oxo-N-pyridin-2-yl-1H-pyrimidine-4-carboxamide
CID 136705864
N-(2,6-diethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705753
N-(2,4-dimethylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136705769
N-(2-acetylphenyl)-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 136834764
2-(methylsulfanylmethyl)-6-oxo-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136834630
4-ethylsulfonyl-2-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]butanoic acid
CID 136834770
N-cyclohexyl-2-methyl-6-oxo-1H-pyridine-4-carboxamide
CID 110698595
4-N,6-N-dicyclohexylpyrimidine-4,6-dicarboxamide
CID 131994880
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclopentyl-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazole-3-carboxamide
CID 137049042
N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849809

Frequently Asked Questions

What is the IUPAC name of N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide (CID 136705774) is N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide is CSCc1nc(C(=O)NC2CCCCCCCCCCC2)cc(=O)[nH]1.
What is the InChIKey of N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is CHGMHGWHRDKIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2S/c1-25-14-17-21-16(13-18(23)22-17)19(24)20-15-11-9-7-5-3-2-4-6-8-10-12-15/h13,15H,2-12,14H2,1H3,(H,20,24)(H,21,22,23).
What are the key properties of N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide?
N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 365.54 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclododecyl-2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 136705774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).