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

C23H35N5O3 — CID 46594520

IUPAC2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCC(C)CN(CC(=O)NCCCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H35N5O3/c1-16(2)13-27(15-19(29)25-12-8-11-18-9-6-5-7-10-18)20-21(24)28(14-17(3)4)23(31)26-22(20)30/h5-7,9-10,16-17H,8,11-15,24H2,1-4H3,(H,25,29)(H,26,30,31)
InChIKeyUSTIKDSOZCQPSO-UHFFFAOYSA-N
MW429.57 g/mol
LogP1.99
Rot. Bonds11

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

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide (PubChem CID 46594520) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
PubChem CID46594520
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide
SMILESCC(C)CN(CC(=O)NCCCc1ccccc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C23H35N5O3/c1-16(2)13-27(15-19(29)25-12-8-11-18-9-6-5-7-10-18)20-21(24)28(14-17(3)4)23(31)26-22(20)30/h5-7,9-10,16-17H,8,11-15,24H2,1-4H3,(H,25,29)(H,26,30,31)
InChIKeyUSTIKDSOZCQPSO-UHFFFAOYSA-N
XLogP1.99
TPSA113.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46582630
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
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 112815851
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-(2-methylpropyl)amino]-N-benzyl-N-ethylacetamide
CID 55591424
6-amino-1-(2-methylpropyl)-5-[2-methylpropyl(2-phenoxyethyl)amino]pyrimidine-2,4-dione
CID 34200106
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(4-methylphenyl)-thiophen-2-ylmethyl]acetamide
CID 46582672
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-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 31035777
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 55517470
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55591029

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide?
The IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide (CID 46594520) is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide.
What is the SMILES notation for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide?
The canonical SMILES for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide is CC(C)CN(CC(=O)NCCCc1ccccc1)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-(3-phenylpropyl)acetamide?
The InChIKey is USTIKDSOZCQPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-16(2)13-27(15-19(29)25-12-8-11-18-9-6-5-7-10-18)20-21(24)28(14-17(3)4)23(31)26-22(20)30/h5-7,9-10,16-17H,8,11-15,24H2,1-4H3,(H,25,29)(H,26,30,31).
What are the key properties of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide?
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(3-phenylpropyl)acetamide has a molecular weight of 429.57 g/mol, XLogP of 1.99, 11 rotatable bonds, 3 hydrogen bond donors, and 6 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-(3-phenylpropyl)acetamide is sourced from PubChem (CID 46594520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).