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

C26H40N6O3 — CID 27159037

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2)c1C
InChIInChI=1S/C26H40N6O3/c1-17(2)14-31(23-24(27)32(15-18(3)4)26(35)28-25(23)34)22(33)16-29-10-12-30(13-11-29)21-9-7-8-19(5)20(21)6/h7-9,17-18H,10-16,27H2,1-6H3,(H,28,34,35)
InChIKeyOYHCUOOKNBJHLP-UHFFFAOYSA-N
MW484.65 g/mol
LogP2.20
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 27159037) has the molecular formula C26H40N6O3 and a molecular weight of 484.65 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID27159037
Molecular FormulaC26H40N6O3
Molecular Weight484.65 g/mol
Exact Mass484.32
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1cccc(N2CCN(CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2)c1C
InChIInChI=1S/C26H40N6O3/c1-17(2)14-31(23-24(27)32(15-18(3)4)26(35)28-25(23)34)22(33)16-29-10-12-30(13-11-29)21-9-7-8-19(5)20(21)6/h7-9,17-18H,10-16,27H2,1-6H3,(H,28,34,35)
InChIKeyOYHCUOOKNBJHLP-UHFFFAOYSA-N
XLogP2.20
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.65
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 3954861
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]acetamide
CID 6216614
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-2-piperidin-1-ylacetamide
CID 8894412
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 26183567
(3S)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2,3-dimethylphenyl)-N-(3-methoxypropyl)-5-oxopyrrolidine-3-carboxamide
CID 26183566
N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-3-oxopropyl]-2-methylbenzamide
CID 36669953
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[(3-methylphenyl)methylsulfanyl]-N-(2-methylpropyl)acetamide
CID 30724872
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 5019607
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4795663
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-(2-fluorophenyl)-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 43024714

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide (CID 27159037) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is Cc1cccc(N2CCN(CC(=O)N(CC(C)C)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)CC2)c1C.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is OYHCUOOKNBJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N6O3/c1-17(2)14-31(23-24(27)32(15-18(3)4)26(35)28-25(23)34)22(33)16-29-10-12-30(13-11-29)21-9-7-8-19(5)20(21)6/h7-9,17-18H,10-16,27H2,1-6H3,(H,28,34,35).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 484.65 g/mol, XLogP of 2.20, 8 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-(2,3-dimethylphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 27159037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).