1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile

C13H15N5O2S — CID 18205427

IUPAC1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cs1
InChIInChI=1S/C13H15N5O2S/c1-8-16-9(7-21-8)4-5-15-11-10(6-14)12(19)18(3)13(20)17(11)2/h7,15H,4-5H2,1-3H3
InChIKeyDYRQFGFECHASCC-UHFFFAOYSA-N
MW305.36 g/mol
LogP0.38
Rot. Bonds4

About 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile

1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile (PubChem CID 18205427) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
PubChem CID18205427
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile
SMILESCc1nc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cs1
InChIInChI=1S/C13H15N5O2S/c1-8-16-9(7-21-8)4-5-15-11-10(6-14)12(19)18(3)13(20)17(11)2/h7,15H,4-5H2,1-3H3
InChIKeyDYRQFGFECHASCC-UHFFFAOYSA-N
XLogP0.38
TPSA92.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-Methyl-5-(4-methyl-2-thiazolyl)-2,4(1H,3H)-pyrimidinedione
CID 47002148
5-Fluoro-6-hydroxy-1-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-dione
CID 114139770
6-chloro-5-fluoro-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1H-pyrimidine-2,4-dione
CID 114139816
2-[4-amino-3-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-2,6-dioxopyrimidin-1-yl]-N-propylacetamide
CID 25673448
6-Amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
CID 51121071
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-4,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 56722453
3-[(4-Tert-butyl-1,3-thiazol-2-yl)methyl]-1-ethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CID 71855939
5-(2-Methyl-1,3-thiazol-4-yl)pyrimidine-2,4(1h,3h)-dione
CID 238867
5-(2-methyl-1,3-thiazol-4-yl)-2,4(1H,3H)-pyrimidinedione hydrochloride
CID 67519693
5-(4-methyl-1,3-thiazol-2-yl)-2,4(1H,3H)-pyrimidinedione
CID 135990572
N-[3-[[4-[cyano-(4-ethyl-1,3-thiazol-2-yl)methylidene]-2,3-dihydro-1H-pyrimidin-2-yl]amino]propyl]acetamide
CID 149510435
6-Amino-1-ethyl-5-(2-methyl-1,3-thiazol-4-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 7131123

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile?
The IUPAC name of 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile (CID 18205427) is 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile?
The canonical SMILES for 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile is Cc1nc(CCNc2c(C#N)c(=O)n(C)c(=O)n2C)cs1.
What is the InChIKey of 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile?
The InChIKey is DYRQFGFECHASCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-16-9(7-21-8)4-5-15-11-10(6-14)12(19)18(3)13(20)17(11)2/h7,15H,4-5H2,1-3H3.
What are the key properties of 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile?
1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile has a molecular weight of 305.36 g/mol, XLogP of 0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-[2-(2-methyl-1,3-thiazol-4-yl)ethylamino]-2,6-dioxopyrimidine-5-carbonitrile is sourced from PubChem (CID 18205427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).