[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate

C24H27N7O4S — CID 129202314

IUPAC[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate
SMILESCC(=O)c1ccc(NC(=O)ON2CCN(c3nc(N)nc4scc(C5=NC(C)(C)CO5)c34)CC2)cc1
InChIInChI=1S/C24H27N7O4S/c1-14(32)15-4-6-16(7-5-15)26-23(33)35-31-10-8-30(9-11-31)19-18-17(20-29-24(2,3)13-34-20)12-36-21(18)28-22(25)27-19/h4-7,12H,8-11,13H2,1-3H3,(H,26,33)(H2,25,27,28)
InChIKeyLETFLEZPZMXPOO-UHFFFAOYSA-N
MW509.59 g/mol
LogP3.32
Rot. Bonds5

About [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate

[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate (PubChem CID 129202314) has the molecular formula C24H27N7O4S and a molecular weight of 509.59 g/mol. Its IUPAC name is [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate.

Molecular Properties

Compound Name[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate
PubChem CID129202314
Molecular FormulaC24H27N7O4S
Molecular Weight509.59 g/mol
Exact Mass509.18
IUPAC Name[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate
SMILESCC(=O)c1ccc(NC(=O)ON2CCN(c3nc(N)nc4scc(C5=NC(C)(C)CO5)c34)CC2)cc1
InChIInChI=1S/C24H27N7O4S/c1-14(32)15-4-6-16(7-5-15)26-23(33)35-31-10-8-30(9-11-31)19-18-17(20-29-24(2,3)13-34-20)12-36-21(18)28-22(25)27-19/h4-7,12H,8-11,13H2,1-3H3,(H,26,33)(H2,25,27,28)
InChIKeyLETFLEZPZMXPOO-UHFFFAOYSA-N
XLogP3.32
TPSA135.27 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.59
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate with MolForge

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Related Compounds

[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-thiophen-3-ylcarbamate
CID 129202332
4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazine-1-carboxylic acid;4-methoxy-2-methylaniline
CID 172748901
4-[2-amino-5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 71514590
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1,4-benzodioxin-6-yl)carbamate
CID 122444224
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(6-methoxy-3-pyridinyl)carbamate
CID 122444068
4-[2-amino-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 71513649
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-(2,3-dihydro-1H-inden-5-yl)carbamate
CID 122444105
4-[2-amino-5-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-yl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 140656979
4-(2-amino-5-phenylthieno[2,3-d]pyrimidin-4-yl)-N-(4-methoxy-2-methylphenyl)piperazine-1-carboxamide
CID 118611764
1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
CID 4882649
[4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)piperazin-1-yl] N-[2-(piperidin-1-ylmethyl)-3H-benzimidazol-5-yl]carbamate
CID 122444091
[(2R)-4-(5-amino-[1,3]thiazolo[5,4-d]pyrimidin-7-yl)-2-(hydroxymethyl)piperazin-1-yl] N-(4-methoxyphenyl)carbamate
CID 122444031

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate?
The IUPAC name of [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate (CID 129202314) is [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate.
What is the SMILES notation for [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate?
The canonical SMILES for [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate is CC(=O)c1ccc(NC(=O)ON2CCN(c3nc(N)nc4scc(C5=NC(C)(C)CO5)c34)CC2)cc1.
What is the InChIKey of [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate?
The InChIKey is LETFLEZPZMXPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4S/c1-14(32)15-4-6-16(7-5-15)26-23(33)35-31-10-8-30(9-11-31)19-18-17(20-29-24(2,3)13-34-20)12-36-21(18)28-22(25)27-19/h4-7,12H,8-11,13H2,1-3H3,(H,26,33)(H2,25,27,28).
What are the key properties of [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate?
[4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate has a molecular weight of 509.59 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-5-(4,4-dimethyl-5H-1,3-oxazol-2-yl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl] N-(4-acetylphenyl)carbamate is sourced from PubChem (CID 129202314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).