N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

C19H29N5O4S — CID 55684789

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C(=O)c1sc(C(C)C)nc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4S/c1-10(2)9-24-15(20)13(16(25)22-19(24)27)23(7-8-28-6)18(26)14-12(5)21-17(29-14)11(3)4/h10-11H,7-9,20H2,1-6H3,(H,22,25,27)
InChIKeyWCGDMLPXUQLNLN-UHFFFAOYSA-N
MW423.54 g/mol
LogP1.96
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 55684789) has the molecular formula C19H29N5O4S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID55684789
Molecular FormulaC19H29N5O4S
Molecular Weight423.54 g/mol
Exact Mass423.19
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCOCCN(C(=O)c1sc(C(C)C)nc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C19H29N5O4S/c1-10(2)9-24-15(20)13(16(25)22-19(24)27)23(7-8-28-6)18(26)14-12(5)21-17(29-14)11(3)4/h10-11H,7-9,20H2,1-6H3,(H,22,25,27)
InChIKeyWCGDMLPXUQLNLN-UHFFFAOYSA-N
XLogP1.96
TPSA123.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 55340674
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 8840036
N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 30391240
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-[2-(dimethylamino)ethyl]-1-(2-methoxyethyl)thiourea
CID 9093796
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 36750962
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
CID 55666594
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(3-methoxypropyl)-2-methylpropanamide
CID 17480203
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-6-fluoro-N-(3-methoxypropyl)-1-benzothiophene-2-carboxamide
CID 26183816
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,2-dichloro-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 78779718

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 55684789) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is COCCN(C(=O)c1sc(C(C)C)nc1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is WCGDMLPXUQLNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O4S/c1-10(2)9-24-15(20)13(16(25)22-19(24)27)23(7-8-28-6)18(26)14-12(5)21-17(29-14)11(3)4/h10-11H,7-9,20H2,1-6H3,(H,22,25,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 1.96, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 55684789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).