N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide

C19H29N5O3S — CID 51135046

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C19H29N5O3S/c1-10(2)8-23(15(25)7-14-21-12(5)13(6)28-14)16-17(20)24(9-11(3)4)19(27)22-18(16)26/h10-11H,7-9,20H2,1-6H3,(H,22,26,27)
InChIKeyIMWOTCOCTIPSOH-UHFFFAOYSA-N
MW407.54 g/mol
LogP2.08
Rot. Bonds7

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide (PubChem CID 51135046) has the molecular formula C19H29N5O3S and a molecular weight of 407.54 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide
PubChem CID51135046
Molecular FormulaC19H29N5O3S
Molecular Weight407.54 g/mol
Exact Mass407.20
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide
SMILESCc1nc(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C
InChIInChI=1S/C19H29N5O3S/c1-10(2)8-23(15(25)7-14-21-12(5)13(6)28-14)16-17(20)24(9-11(3)4)19(27)22-18(16)26/h10-11H,7-9,20H2,1-6H3,(H,22,26,27)
InChIKeyIMWOTCOCTIPSOH-UHFFFAOYSA-N
XLogP2.08
TPSA114.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide (CID 51135046) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide is Cc1nc(CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)sc1C.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide?
The InChIKey is IMWOTCOCTIPSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3S/c1-10(2)8-23(15(25)7-14-21-12(5)13(6)28-14)16-17(20)24(9-11(3)4)19(27)22-18(16)26/h10-11H,7-9,20H2,1-6H3,(H,22,26,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide has a molecular weight of 407.54 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 51135046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).