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

C25H35N7O3 — CID 42029296

IUPAC2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCCCCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H35N7O3/c1-6-7-13-30(22-23(26)31(14-16(2)3)25(35)28-24(22)34)15-20(33)27-21-17(4)29-32(18(21)5)19-11-9-8-10-12-19/h8-12,16H,6-7,13-15,26H2,1-5H3,(H,27,33)(H,28,34,35)
InChIKeyHNCISXOAUACMAH-UHFFFAOYSA-N
MW481.60 g/mol
LogP2.82
Rot. Bonds10

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

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 42029296) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID42029296
Molecular FormulaC25H35N7O3
Molecular Weight481.60 g/mol
Exact Mass481.28
IUPAC Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCCCCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C25H35N7O3/c1-6-7-13-30(22-23(26)31(14-16(2)3)25(35)28-24(22)34)15-20(33)27-21-17(4)29-32(18(21)5)19-11-9-8-10-12-19/h8-12,16H,6-7,13-15,26H2,1-5H3,(H,27,33)(H,28,34,35)
InChIKeyHNCISXOAUACMAH-UHFFFAOYSA-N
XLogP2.82
TPSA131.04 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55504703
6-amino-5-[butyl(2-hydroxyethyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 60648892
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 9167061
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenylacetamide
CID 4825571
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-phenylpyrazole-4-carboxamide
CID 55413295
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
CID 46594520
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(N-methylanilino)acetamide
CID 8002339
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1S)-1,2-diphenylethyl]amino]acetamide
CID 41113416
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[[(1R)-1,2-diphenylethyl]amino]acetamide
CID 41113419
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 46582615
6-amino-5-[butyl-[(2-chloro-6-fluorophenyl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 55503793

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 42029296) is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is CCCCN(CC(=O)Nc1c(C)nn(-c2ccccc2)c1C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is HNCISXOAUACMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-6-7-13-30(22-23(26)31(14-16(2)3)25(35)28-24(22)34)15-20(33)27-21-17(4)29-32(18(21)5)19-11-9-8-10-12-19/h8-12,16H,6-7,13-15,26H2,1-5H3,(H,27,33)(H,28,34,35).
What are the key properties of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 481.60 g/mol, XLogP of 2.82, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-butylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 42029296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).