2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide

C19H32N6O4 — CID 29467643

IUPAC2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide
SMILESCCCCn1c(N)c(N(CC)CC(=O)NC(=O)NC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N6O4/c1-3-5-11-25-16(20)15(17(27)23-19(25)29)24(4-2)12-14(26)22-18(28)21-13-9-7-6-8-10-13/h13H,3-12,20H2,1-2H3,(H,23,27,29)(H2,21,22,26,28)
InChIKeyODEAZDNMNSZQET-UHFFFAOYSA-N
MW408.50 g/mol
LogP0.90
Rot. Bonds8

About 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide

2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide (PubChem CID 29467643) has the molecular formula C19H32N6O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide
PubChem CID29467643
Molecular FormulaC19H32N6O4
Molecular Weight408.50 g/mol
Exact Mass408.25
IUPAC Name2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide
SMILESCCCCn1c(N)c(N(CC)CC(=O)NC(=O)NC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C19H32N6O4/c1-3-5-11-25-16(20)15(17(27)23-19(25)29)24(4-2)12-14(26)22-18(28)21-13-9-7-6-8-10-13/h13H,3-12,20H2,1-2H3,(H,23,27,29)(H2,21,22,26,28)
InChIKeyODEAZDNMNSZQET-UHFFFAOYSA-N
XLogP0.90
TPSA142.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 50.90
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-cyclohexylacetamide
CID 18136948
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-butyl-3-cyclohexylthiourea
CID 9093425
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide
CID 46582645
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 36909911
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 55499124
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-(tert-butylcarbamoyl)acetamide
CID 55474865
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(3,5-difluorophenyl)acetamide
CID 18136988
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 29467605
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclohexyl-1-(furan-2-ylmethyl)thiourea
CID 9093720
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-cyclopropyl-1-(2-methoxyethyl)thiourea
CID 9093449
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 18136980
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(1S,2S)-2-methylcyclohexyl]-1-propylthiourea
CID 9093924

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide?
The IUPAC name of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide (CID 29467643) is 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide is CCCCn1c(N)c(N(CC)CC(=O)NC(=O)NC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide?
The InChIKey is ODEAZDNMNSZQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6O4/c1-3-5-11-25-16(20)15(17(27)23-19(25)29)24(4-2)12-14(26)22-18(28)21-13-9-7-6-8-10-13/h13H,3-12,20H2,1-2H3,(H,23,27,29)(H2,21,22,26,28).
What are the key properties of 2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide?
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide has a molecular weight of 408.50 g/mol, XLogP of 0.90, 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-butyl-2,4-dioxopyrimidin-5-yl)-ethylamino]-N-(cyclohexylcarbamoyl)acetamide is sourced from PubChem (CID 29467643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).