N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride

C20H28ClN5O4 — CID 171667504

IUPACN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(=O)n(C)c(=O)n1C)Cc1ccccc1N1CCOCC1.Cl
InChIInChI=1S/C20H27N5O4.ClH/c1-22(13-15-6-4-5-7-16(15)25-8-10-29-11-9-25)14-18(26)21-17-12-19(27)24(3)20(28)23(17)2;/h4-7,12H,8-11,13-14H2,1-3H3,(H,21,26);1H
InChIKeyCYPQGKIPHXMENN-UHFFFAOYSA-N
MW437.93 g/mol
LogP0.41
Rot. Bonds6

About N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride

N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride (PubChem CID 171667504) has the molecular formula C20H28ClN5O4 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride
PubChem CID171667504
Molecular FormulaC20H28ClN5O4
Molecular Weight437.93 g/mol
Exact Mass437.18
IUPAC NameN-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride
SMILESCN(CC(=O)Nc1cc(=O)n(C)c(=O)n1C)Cc1ccccc1N1CCOCC1.Cl
InChIInChI=1S/C20H27N5O4.ClH/c1-22(13-15-6-4-5-7-16(15)25-8-10-29-11-9-25)14-18(26)21-17-12-19(27)24(3)20(28)23(17)2;/h4-7,12H,8-11,13-14H2,1-3H3,(H,21,26);1H
InChIKeyCYPQGKIPHXMENN-UHFFFAOYSA-N
XLogP0.41
TPSA88.81 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 24594995
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CID 24594996
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2-[methyl-[(2-methylphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 8592084
N-methyl-2-(methylamino)-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 120703394
methyl 3-methyl-5-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]furan-2-carboxylate
CID 33196612
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride?
The IUPAC name of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride (CID 171667504) is N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride.
What is the SMILES notation for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride?
The canonical SMILES for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride is CN(CC(=O)Nc1cc(=O)n(C)c(=O)n1C)Cc1ccccc1N1CCOCC1.Cl.
What is the InChIKey of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride?
The InChIKey is CYPQGKIPHXMENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O4.ClH/c1-22(13-15-6-4-5-7-16(15)25-8-10-29-11-9-25)14-18(26)21-17-12-19(27)24(3)20(28)23(17)2;/h4-7,12H,8-11,13-14H2,1-3H3,(H,21,26);1H.
What are the key properties of N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride?
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride has a molecular weight of 437.93 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]acetamide;hydrochloride is sourced from PubChem (CID 171667504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).