N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide

C13H16BrN5OS — CID 62179139

IUPACN-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C13H16BrN5OS/c1-4-15-8-5-16-11(7(2)3)18-10(8)12(20)19-13-17-6-9(14)21-13/h5-7,15H,4H2,1-3H3,(H,17,19,20)
InChIKeyJQOJUQJEXOEOQD-UHFFFAOYSA-N
MW370.28 g/mol
LogP3.50
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 62179139) has the molecular formula C13H16BrN5OS and a molecular weight of 370.28 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
PubChem CID62179139
Molecular FormulaC13H16BrN5OS
Molecular Weight370.28 g/mol
Exact Mass369.03
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
SMILESCCNc1cnc(C(C)C)nc1C(=O)Nc1ncc(Br)s1
InChIInChI=1S/C13H16BrN5OS/c1-4-15-8-5-16-11(7(2)3)18-10(8)12(20)19-13-17-6-9(14)21-13/h5-7,15H,4H2,1-3H3,(H,17,19,20)
InChIKeyJQOJUQJEXOEOQD-UHFFFAOYSA-N
XLogP3.50
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62167379
5-(ethylamino)-2-propan-2-yl-N-pyridin-4-ylpyrimidine-4-carboxamide
CID 62167205
N-cyclopropyl-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62173238
5-(ethylamino)-N-(3-methylpentan-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62180898
2-propan-2-yl-5-(propylamino)-N-(1,3-thiazol-2-yl)pyrimidine-4-carboxamide
CID 62172859
5-(ethylamino)-N-(2-methylsulfanylethyl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 63961032
5-(ethylamino)-2-propan-2-yl-N-(1,3-thiazol-2-ylmethyl)pyrimidine-4-carboxamide
CID 62175298
5-bromo-2-propan-2-yl-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]pyrimidine-4-carboxamide
CID 166258519
N-[3-(dimethylamino)propyl]-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 62166595
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-(methylamino)-2-propan-2-ylpyrimidine-4-carboxamide
CID 107643170
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-1,3,4-thiadiazole-2-carboxamide
CID 80615212
5-chloro-N-(5-methyl-1,3-thiazol-2-yl)-2-propan-2-ylpyrimidine-4-carboxamide
CID 47459161

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide (CID 62179139) is N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide is CCNc1cnc(C(C)C)nc1C(=O)Nc1ncc(Br)s1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is JQOJUQJEXOEOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5OS/c1-4-15-8-5-16-11(7(2)3)18-10(8)12(20)19-13-17-6-9(14)21-13/h5-7,15H,4H2,1-3H3,(H,17,19,20).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 370.28 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-5-(ethylamino)-2-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 62179139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).