N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide

C20H34N4O4 — CID 43000058

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CCC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O4/c1-14(2)13-24-18(21)17(19(26)22-20(24)27)23(11-12-28-3)16(25)10-9-15-7-5-4-6-8-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChIKeyAVHUEUWYRXDQHR-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.11
Rot. Bonds9

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide (PubChem CID 43000058) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
PubChem CID43000058
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide
SMILESCOCCN(C(=O)CCC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C20H34N4O4/c1-14(2)13-24-18(21)17(19(26)22-20(24)27)23(11-12-28-3)16(25)10-9-15-7-5-4-6-8-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27)
InChIKeyAVHUEUWYRXDQHR-UHFFFAOYSA-N
XLogP2.11
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(oxolan-2-yl)propanamide
CID 55605547
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-3-cyclopentyl-N-(2-methoxyethyl)propanamide
CID 26120762
N-[3-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 30391240
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3-cyclohexylpropanamide
CID 42999818
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,2-dichloro-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 78779718
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] (E)-but-2-enoate
CID 7981154
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-fluorophenyl)-N-(2-methoxyethyl)propanamide
CID 86912912
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(2-methoxyethyl)propanamide
CID 55666573
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-[cyclohexyl(methyl)amino]acetamide
CID 4818322
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 43037608

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide (CID 43000058) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide is COCCN(C(=O)CCC1CCCCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
The InChIKey is AVHUEUWYRXDQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O4/c1-14(2)13-24-18(21)17(19(26)22-20(24)27)23(11-12-28-3)16(25)10-9-15-7-5-4-6-8-15/h14-15H,4-13,21H2,1-3H3,(H,22,26,27).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide has a molecular weight of 394.52 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-cyclohexyl-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 43000058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).