N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide

C21H28N4O4 — CID 2469748

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N4O4/c1-29-13-12-24-18(22)17(19(26)23-21(24)28)25(14-15-8-4-2-5-9-15)20(27)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14,22H2,1H3,(H,23,26,28)
InChIKeyDUGGERCHGOHHPJ-UHFFFAOYSA-N
MW400.48 g/mol
LogP1.88
Rot. Bonds7

About N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide (PubChem CID 2469748) has the molecular formula C21H28N4O4 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide
PubChem CID2469748
Molecular FormulaC21H28N4O4
Molecular Weight400.48 g/mol
Exact Mass400.21
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide
SMILESCOCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C21H28N4O4/c1-29-13-12-24-18(22)17(19(26)23-21(24)28)25(14-15-8-4-2-5-9-15)20(27)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14,22H2,1H3,(H,23,26,28)
InChIKeyDUGGERCHGOHHPJ-UHFFFAOYSA-N
XLogP1.88
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-1-benzyl-5-(ethylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2392273
6-Amino-5-benzylamino-1-butyl-1H-pyrimidine-2,4-dione
CID 2341173
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-yl)-N-ethylacetamide
CID 2096792
6-Amino-1-benzyl-5-(benzylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2344558
6-Amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2363702
Morpholine-4-carboxylic acid {1-[(cyano-phenyl-methyl)-carbamoyl]-2-cyclohexyl-ethyl}-amide
CID 11069367
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-methylbenzamide
CID 4791036
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-fluorobenzamide
CID 4791039
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-hydroxyethyl)cyclopentanecarboxamide
CID 4791103
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 4791347
2-[(R)-3-(2-Morpholin-4-yl-ethyl)-2,4,8-trioxo-6-phenyl-2,3,4,8-tetrahydro-1H-pyrido[3,4-d]pyrimidin-7-yl]-N-(3,3,3-trifluoro-1-isopropyl-2-oxo-propyl)-acetamide
CID 10793294
N-(4-amino-1,3-dibenzyl-2,6-dioxopyrimidin-5-yl)formamide
CID 1045371

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide (CID 2469748) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide is COCCn1c(N)c(N(Cc2ccccc2)C(=O)C2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide?
The InChIKey is DUGGERCHGOHHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4/c1-29-13-12-24-18(22)17(19(26)23-21(24)28)25(14-15-8-4-2-5-9-15)20(27)16-10-6-3-7-11-16/h2,4-5,8-9,16H,3,6-7,10-14,22H2,1H3,(H,23,26,28).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide has a molecular weight of 400.48 g/mol, XLogP of 1.88, 7 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-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylcyclohexanecarboxamide is sourced from PubChem (CID 2469748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).