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

C23H42N6O4 — CID 55591029

IUPAC2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C23H42N6O4/c1-15(2)10-27-7-8-33-18(13-27)9-25-19(30)14-28(11-16(3)4)20-21(24)29(12-17(5)6)23(32)26-22(20)31/h15-18H,7-14,24H2,1-6H3,(H,25,30)(H,26,31,32)
InChIKeyAZQGUGNCQWSPHF-UHFFFAOYSA-N
MW466.63 g/mol
LogP0.71
Rot. Bonds11

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

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (PubChem CID 55591029) has the molecular formula C23H42N6O4 and a molecular weight of 466.63 g/mol. Its IUPAC name is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
PubChem CID55591029
Molecular FormulaC23H42N6O4
Molecular Weight466.63 g/mol
Exact Mass466.33
IUPAC Name2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
SMILESCC(C)CN1CCOC(CNC(=O)CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1
InChIInChI=1S/C23H42N6O4/c1-15(2)10-27-7-8-33-18(13-27)9-25-19(30)14-28(11-16(3)4)20-21(24)29(12-17(5)6)23(32)26-22(20)31/h15-18H,7-14,24H2,1-6H3,(H,25,30)(H,26,31,32)
InChIKeyAZQGUGNCQWSPHF-UHFFFAOYSA-N
XLogP0.71
TPSA125.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide with MolForge

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Related Compounds

2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(cyclopentylcarbamoyl)acetamide
CID 46582645
2-[methyl-[2-[[4-(2-methylpropyl)morpholin-2-yl]methylamino]-2-oxoethyl]amino]acetic acid
CID 119905834
2-[1-(4-methoxyphenyl)ethyl-methylamino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55551459
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-(4-cyanophenyl)acetamide
CID 112815851
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 46582630
2-[cyclopropyl-[(4-ethylphenyl)methyl]amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide
CID 55682446
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide
CID 31035777
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]propanamide
CID 135933128
methyl 5-[2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 46405435
N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119834444

Frequently Asked Questions

What is the IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The IUPAC name of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide (CID 55591029) is 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The canonical SMILES for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is CC(C)CN1CCOC(CNC(=O)CN(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)C1.
What is the InChIKey of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
The InChIKey is AZQGUGNCQWSPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N6O4/c1-15(2)10-27-7-8-33-18(13-27)9-25-19(30)14-28(11-16(3)4)20-21(24)29(12-17(5)6)23(32)26-22(20)31/h15-18H,7-14,24H2,1-6H3,(H,25,30)(H,26,31,32).
What are the key properties of 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide?
2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide has a molecular weight of 466.63 g/mol, XLogP of 0.71, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-(2-methylpropyl)amino]-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]acetamide is sourced from PubChem (CID 55591029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).