N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide

C16H20N4OS — CID 20913631

IUPACN-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCN(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C16H20N4OS/c1-20(2)10-9-17-15(21)13-11-18-16(22-3)19-14(13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,21)
InChIKeySXFPGUNALBLBDV-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.16
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide (PubChem CID 20913631) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
PubChem CID20913631
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCN(C)C)c(-c2ccccc2)n1
InChIInChI=1S/C16H20N4OS/c1-20(2)10-9-17-15(21)13-11-18-16(22-3)19-14(13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,21)
InChIKeySXFPGUNALBLBDV-UHFFFAOYSA-N
XLogP2.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide
CID 20913659
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N-ethyl-2,4-diphenylpyrimidine-5-carboxamide
CID 1470755
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
2-methylsulfanyl-4-pyridin-3-ylpyrimidine-5-carboxylic acid
CID 53213011
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769
N-[2-(dimethylamino)ethyl]-2-methyl-3-phenyl-7-propylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 4024125
N-[2-(dimethylamino)ethyl]-3-(4-fluorophenyl)-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 44824388
2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
CID 123504584
N-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-2-phenyl-1H-pyrrole-3-carboxamide
CID 170695699
3-[6-amino-5-(2-methylsulfanylpyrimidin-4-yl)-3-pyridinyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 58238249

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide (CID 20913631) is N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCN(C)C)c(-c2ccccc2)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
The InChIKey is SXFPGUNALBLBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-20(2)10-9-17-15(21)13-11-18-16(22-3)19-14(13)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-methylsulfanyl-4-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 20913631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).