N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide

C26H39N5O4 — CID 55623424

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C26H39N5O4/c1-16(2)11-30(22-23(27)31(12-17(3)4)26(34)28-24(22)32)25(33)21-9-7-20(8-10-21)15-29-13-18(5)35-19(6)14-29/h7-10,16-19H,11-15,27H2,1-6H3,(H,28,32,34)
InChIKeyWBMSBBGSRBWHAM-UHFFFAOYSA-N
MW485.63 g/mol
LogP2.69
Rot. Bonds8

About N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 55623424) has the molecular formula C26H39N5O4 and a molecular weight of 485.63 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID55623424
Molecular FormulaC26H39N5O4
Molecular Weight485.63 g/mol
Exact Mass485.30
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C26H39N5O4/c1-16(2)11-30(22-23(27)31(12-17(3)4)26(34)28-24(22)32)25(33)21-9-7-20(8-10-21)15-29-13-18(5)35-19(6)14-29/h7-10,16-19H,11-15,27H2,1-6H3,(H,28,32,34)
InChIKeyWBMSBBGSRBWHAM-UHFFFAOYSA-N
XLogP2.69
TPSA113.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.63
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-4-[(2,6-dimethylmorpholin-4-yl)methyl]benzamide
CID 55623702
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-propan-2-ylbenzamide
CID 29299004
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-nitrobenzamide
CID 29298909
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-4-(propan-2-ylsulfamoyl)benzamide
CID 30137077
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-chloro-N-(2-methylpropyl)-3-nitrobenzamide
CID 29298871
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 43038159
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 24687685
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-(2-methylpropyl)benzamide
CID 30826009
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(3,5-dimethylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 16554628
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-methyl-N-(2-methylpropyl)benzamide
CID 8922741
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide (CID 55623424) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide is CC(C)CN(C(=O)c1ccc(CN2CC(C)OC(C)C2)cc1)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]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is WBMSBBGSRBWHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O4/c1-16(2)11-30(22-23(27)31(12-17(3)4)26(34)28-24(22)32)25(33)21-9-7-20(8-10-21)15-29-13-18(5)35-19(6)14-29/h7-10,16-19H,11-15,27H2,1-6H3,(H,28,32,34).
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 485.63 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-4-[(2,6-dimethylmorpholin-4-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 55623424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).