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

C21H26N6O4 — CID 55666594

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCCN(C(=O)c1ccn(-c2ccccc2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N6O4/c1-14(2)13-26-18(22)17(19(28)23-21(26)30)25(11-12-31-3)20(29)16-9-10-27(24-16)15-7-5-4-6-8-15/h4-10,14H,11-13,22H2,1-3H3,(H,23,28,30)
InChIKeyOCXVPRSSZQHWBU-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.25
Rot. Bonds8

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide (PubChem CID 55666594) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
PubChem CID55666594
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide
SMILESCOCCN(C(=O)c1ccn(-c2ccccc2)n1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C21H26N6O4/c1-14(2)13-26-18(22)17(19(28)23-21(26)30)25(11-12-31-3)20(29)16-9-10-27(24-16)15-7-5-4-6-8-15/h4-10,14H,11-13,22H2,1-3H3,(H,23,28,30)
InChIKeyOCXVPRSSZQHWBU-UHFFFAOYSA-N
XLogP1.25
TPSA128.24 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 8840036
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
(E)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-phenylprop-2-enamide
CID 7995118
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3,5-dimethylbenzamide
CID 8840048
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(furan-2-yl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 36750962
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-3-(2-methylsulfanylimidazol-1-yl)benzamide
CID 55770493
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-ethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazole-4-carboxamide
CID 55623445
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2,4-dimethoxy-N-(2-methoxyethyl)benzamide
CID 55340674
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-1-phenylpyrazole-4-carboxamide
CID 55413295
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 46425588
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55736016
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2,6-dichlorophenoxy)-N-(2-methoxyethyl)acetamide
CID 24684728

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide (CID 55666594) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide is COCCN(C(=O)c1ccn(-c2ccccc2)n1)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]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
The InChIKey is OCXVPRSSZQHWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-14(2)13-26-18(22)17(19(28)23-21(26)30)25(11-12-31-3)20(29)16-9-10-27(24-16)15-7-5-4-6-8-15/h4-10,14H,11-13,22H2,1-3H3,(H,23,28,30).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).