N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

C13H20N4O3S — CID 56705889

IUPACN-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCC2CN(C)CCO2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O3S/c1-17-5-6-20-9(8-17)3-4-14-11(18)10-7-15-13(21-2)16-12(10)19/h7,9H,3-6,8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyGWCRJRORQINJBI-UHFFFAOYSA-N
MW312.40 g/mol
LogP-0.06
Rot. Bonds5

About N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide

N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 56705889) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID56705889
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC NameN-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCSc1ncc(C(=O)NCCC2CN(C)CCO2)c(=O)[nH]1
InChIInChI=1S/C13H20N4O3S/c1-17-5-6-20-9(8-17)3-4-14-11(18)10-7-15-13(21-2)16-12(10)19/h7,9H,3-6,8H2,1-2H3,(H,14,18)(H,15,16,19)
InChIKeyGWCRJRORQINJBI-UHFFFAOYSA-N
XLogP-0.06
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyethyl)-5-oxo-2-piperidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 16025866
N-[2-(morpholin-4-yl)ethyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 4429834
5-oxo-2-piperidin-1-yl-N-(3-propan-2-yloxypropyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942677
2-morpholin-4-yl-5-oxo-N-propan-2-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942779
N-(2-methoxyethyl)-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942786
N-(3-Methoxypropyl)-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942797
N-Ethyl-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942804
N-Butyl-2-(morpholin-4-YL)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-A]pyrimidine-6-carboxamide
CID 20942805
N-[3-(morpholin-4-yl)propyl]-5-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 17248314
2,3-Dimethyl-N-[3-(morpholin-4-YL)propyl]-5-oxo-5H-[1,3]thiazolo[3,2-A]pyrimidine-6-carboxamide
CID 17715972
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942768
2-morpholin-4-yl-5-oxo-N-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942780

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide (CID 56705889) is N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is CSc1ncc(C(=O)NCCC2CN(C)CCO2)c(=O)[nH]1.
What is the InChIKey of N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is GWCRJRORQINJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3S/c1-17-5-6-20-9(8-17)3-4-14-11(18)10-7-15-13(21-2)16-12(10)19/h7,9H,3-6,8H2,1-2H3,(H,14,18)(H,15,16,19).
What are the key properties of N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide?
N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 312.40 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylmorpholin-2-yl)ethyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 56705889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).