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

C19H26N4O4 — CID 31301943

IUPACN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
SMILESCCCCC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-3-4-10-15(24)23(13-14-8-6-5-7-9-14)16-17(20)22(11-12-27-2)19(26)21-18(16)25/h5-9H,3-4,10-13,20H2,1-2H3,(H,21,25,26)
InChIKeyMTNHCNPGSRNUTQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.49
Rot. Bonds9

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

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide (PubChem CID 31301943) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
PubChem CID31301943
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide
SMILESCCCCC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O
InChIInChI=1S/C19H26N4O4/c1-3-4-10-15(24)23(13-14-8-6-5-7-9-14)16-17(20)22(11-12-27-2)19(26)21-18(16)25/h5-9H,3-4,10-13,20H2,1-2H3,(H,21,25,26)
InChIKeyMTNHCNPGSRNUTQ-UHFFFAOYSA-N
XLogP1.49
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(3,5-dimethylphenoxy)propanamide
CID 35535172
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-methoxyphenyl)sulfanylpropanamide
CID 43035654
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-(4-tert-butylphenoxy)propanamide
CID 16548948
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-(4-fluorophenoxy)propanamide
CID 30841957
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(1-methylpyrazol-3-yl)acetamide
CID 166207619
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2,4-dioxo-1H-quinazolin-3-yl)acetamide
CID 55600439
(E)-N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-3-phenylprop-2-enamide
CID 7998169
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 27668783
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-4-phenylbutanamide
CID 55754269
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(2-chloro-6-fluorophenyl)acetamide
CID 4816263
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42906788
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzyl-2,2-dichlorocyclopropane-1-carboxamide
CID 42906790

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide?
The IUPAC name of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide (CID 31301943) is N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide.
What is the SMILES notation for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide?
The canonical SMILES for N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide is CCCCC(=O)N(Cc1ccccc1)c1c(N)n(CCOC)c(=O)[nH]c1=O.
What is the InChIKey of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide?
The InChIKey is MTNHCNPGSRNUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-4-10-15(24)23(13-14-8-6-5-7-9-14)16-17(20)22(11-12-27-2)19(26)21-18(16)25/h5-9H,3-4,10-13,20H2,1-2H3,(H,21,25,26).
What are the key properties of N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide?
N-[6-amino-1-(2-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide has a molecular weight of 374.44 g/mol, XLogP of 1.49, 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-methoxyethyl)-2,4-dioxopyrimidin-5-yl]-N-benzylpentanamide is sourced from PubChem (CID 31301943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).