N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide

C22H31ClN4O6 — CID 55340851

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C22H31ClN4O6/c1-6-8-33-18-15(23)10-14(11-16(18)32-5)21(29)26(7-9-31-4)17-19(24)27(12-13(2)3)22(30)25-20(17)28/h10-11,13H,6-9,12,24H2,1-5H3,(H,25,28,30)
InChIKeyFNHOIKSPCQULDP-UHFFFAOYSA-N
MW482.97 g/mol
LogP2.52
Rot. Bonds11

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide (PubChem CID 55340851) has the molecular formula C22H31ClN4O6 and a molecular weight of 482.97 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide
PubChem CID55340851
Molecular FormulaC22H31ClN4O6
Molecular Weight482.97 g/mol
Exact Mass482.19
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide
SMILESCCCOc1c(Cl)cc(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC
InChIInChI=1S/C22H31ClN4O6/c1-6-8-33-18-15(23)10-14(11-16(18)32-5)21(29)26(7-9-31-4)17-19(24)27(12-13(2)3)22(30)25-20(17)28/h10-11,13H,6-9,12,24H2,1-5H3,(H,25,28,30)
InChIKeyFNHOIKSPCQULDP-UHFFFAOYSA-N
XLogP2.52
TPSA128.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.97
LogP ≤ 52.52
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]-3-chloro-4,5-dimethoxy-N-(2-methylpropyl)benzamide
CID 29388385
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]-5-methoxy-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 55383112
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]-2-(2-chlorophenyl)-N-(2-methoxyethyl)acetamide
CID 26211603
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2,6-dichlorophenoxy)-N-(2-methoxyethyl)acetamide
CID 24684728
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(3,4-dimethylphenoxy)-N-(2-methoxyethyl)acetamide
CID 8840063
[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylpropanoate
CID 7782510
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(4-cyano-2-methoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 16556393
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-4-methoxy-3-nitrobenzamide
CID 26211500
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-fluoro-N-(2-methoxyethyl)benzamide
CID 8840036

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide (CID 55340851) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide is CCCOc1c(Cl)cc(C(=O)N(CCOC)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)cc1OC.
What is the InChIKey of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide?
The InChIKey is FNHOIKSPCQULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31ClN4O6/c1-6-8-33-18-15(23)10-14(11-16(18)32-5)21(29)26(7-9-31-4)17-19(24)27(12-13(2)3)22(30)25-20(17)28/h10-11,13H,6-9,12,24H2,1-5H3,(H,25,28,30).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide has a molecular weight of 482.97 g/mol, XLogP of 2.52, 11 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]-3-chloro-5-methoxy-N-(2-methoxyethyl)-4-propoxybenzamide is sourced from PubChem (CID 55340851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).