N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide

C14H17N5OS — CID 91763567

IUPACN-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(C)C(C)Cc2cnccn2)cn1
InChIInChI=1S/C14H17N5OS/c1-10(6-12-9-15-4-5-16-12)19(2)13(20)11-7-17-14(21-3)18-8-11/h4-5,7-10H,6H2,1-3H3
InChIKeyISKWNAVTCSDWIU-UHFFFAOYSA-N
MW303.39 g/mol
LogP1.69
Rot. Bonds5

About N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide

N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide (PubChem CID 91763567) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide
PubChem CID91763567
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC NameN-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)N(C)C(C)Cc2cnccn2)cn1
InChIInChI=1S/C14H17N5OS/c1-10(6-12-9-15-4-5-16-12)19(2)13(20)11-7-17-14(21-3)18-8-11/h4-5,7-10H,6H2,1-3H3
InChIKeyISKWNAVTCSDWIU-UHFFFAOYSA-N
XLogP1.69
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4-sulfamoylbenzamide
CID 99951064
N,2,5-trimethyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]furan-3-carboxamide
CID 125173639
N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)furan-2-carboxamide
CID 91767312
3-(3-methoxypyrazin-2-yl)-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 118772615
2-ethoxy-N,2-dimethyl-N-(1-pyrazin-2-ylpropan-2-yl)propanamide
CID 91760567
2-chloro-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5-(trifluoromethyl)benzamide
CID 118789475
N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 91760597
N-methyl-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]-2-(2-pyrrolidin-1-ylethylsulfanyl)acetamide
CID 124852369
N-[(2R)-4-ethylsulfanylbutan-2-yl]-N-methylpyrazine-2-carboxamide
CID 95990446
N-methyl-4-(3-methyl-4-pyridinyl)-N-[(2R)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126447987
1-(4-methylsulfanylphenyl)-2-pyrazin-2-ylethanone
CID 116832739
2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]-1-morpholin-4-ylethanone
CID 124757680

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide (CID 91763567) is N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide is CSc1ncc(C(=O)N(C)C(C)Cc2cnccn2)cn1.
What is the InChIKey of N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide?
The InChIKey is ISKWNAVTCSDWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10(6-12-9-15-4-5-16-12)19(2)13(20)11-7-17-14(21-3)18-8-11/h4-5,7-10H,6H2,1-3H3.
What are the key properties of N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide?
N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 1.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanyl-N-(1-pyrazin-2-ylpropan-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91763567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).