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

C20H34N6O4 — CID 46582645

IUPAC2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide
SMILESCC(C)CN(CC(=O)NC(=O)NC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N6O4/c1-12(2)9-25(11-15(27)23-19(29)22-14-7-5-6-8-14)16-17(21)26(10-13(3)4)20(30)24-18(16)28/h12-14H,5-11,21H2,1-4H3,(H,24,28,30)(H2,22,23,27,29)
InChIKeyGCQROVJZUDOUGO-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.01
Rot. Bonds8

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

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide (PubChem CID 46582645) has the molecular formula C20H34N6O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide
PubChem CID46582645
Molecular FormulaC20H34N6O4
Molecular Weight422.53 g/mol
Exact Mass422.26
IUPAC Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide
SMILESCC(C)CN(CC(=O)NC(=O)NC1CCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N6O4/c1-12(2)9-25(11-15(27)23-19(29)22-14-7-5-6-8-14)16-17(21)26(10-13(3)4)20(30)24-18(16)28/h12-14H,5-11,21H2,1-4H3,(H,24,28,30)(H2,22,23,27,29)
InChIKeyGCQROVJZUDOUGO-UHFFFAOYSA-N
XLogP1.01
TPSA142.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide
CID 29467643
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 31035777
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-methylphenyl)acetamide
CID 46594509
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3,4-difluorophenyl)acetamide
CID 46582615
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 112815851
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
CID 46594520
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-cyclohexylacetamide
CID 18136948
methyl 5-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46405435
6-amino-5-[butyl-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 78834369
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-N-(cyclopropylcarbamoyl)acetamide
CID 55535917
1-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-1-butyl-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9094118

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide?
The IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide (CID 46582645) is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide.
What is the SMILES notation for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide?
The canonical SMILES for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide is CC(C)CN(CC(=O)NC(=O)NC1CCCC1)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]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide?
The InChIKey is GCQROVJZUDOUGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O4/c1-12(2)9-25(11-15(27)23-19(29)22-14-7-5-6-8-14)16-17(21)26(10-13(3)4)20(30)24-18(16)28/h12-14H,5-11,21H2,1-4H3,(H,24,28,30)(H2,22,23,27,29).
What are the key properties of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide?
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide has a molecular weight of 422.53 g/mol, XLogP of 1.01, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide is sourced from PubChem (CID 46582645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).