1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

C15H14N6O3S — CID 91773021

IUPAC1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCc2csc(-c3cnccn3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H14N6O3S/c1-21-7-10(13(23)20-15(21)24)12(22)18-3-2-9-8-25-14(19-9)11-6-16-4-5-17-11/h4-8H,2-3H2,1H3,(H,18,22)(H,20,23,24)
InChIKeyOZLMZWMNISHHQR-UHFFFAOYSA-N
MW358.38 g/mol
LogP-0.04
Rot. Bonds5

About 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide

1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (PubChem CID 91773021) has the molecular formula C15H14N6O3S and a molecular weight of 358.38 g/mol. Its IUPAC name is 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
PubChem CID91773021
Molecular FormulaC15H14N6O3S
Molecular Weight358.38 g/mol
Exact Mass358.08
IUPAC Name1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCc2csc(-c3cnccn3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C15H14N6O3S/c1-21-7-10(13(23)20-15(21)24)12(22)18-3-2-9-8-25-14(19-9)11-6-16-4-5-17-11/h4-8H,2-3H2,1H3,(H,18,22)(H,20,23,24)
InChIKeyOZLMZWMNISHHQR-UHFFFAOYSA-N
XLogP-0.04
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739
2-methyl-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]oxolane-2-carboxamide
CID 91782331
3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-N-(2-pyridin-2-ylethyl)indolizine-1-carboxamide
CID 97446858
6-tert-butyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-4-carboxamide
CID 91779297
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
1,2-dimethyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazole-4-sulfonamide
CID 131925661
N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 91789807
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
N-(3-piperazin-1-ylpropyl)-2-pyrazin-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119392029

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The IUPAC name of 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide (CID 91773021) is 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The canonical SMILES for 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is Cn1cc(C(=O)NCCc2csc(-c3cnccn3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
The InChIKey is OZLMZWMNISHHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3S/c1-21-7-10(13(23)20-15(21)24)12(22)18-3-2-9-8-25-14(19-9)11-6-16-4-5-17-11/h4-8H,2-3H2,1H3,(H,18,22)(H,20,23,24).
What are the key properties of 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide?
1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide has a molecular weight of 358.38 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,4-dioxo-N-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 91773021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).