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

C18H32N5O4+ — CID 2469948

IUPACN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCC(C)CN(C(=O)C[NH+]1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O4/c1-12(2)9-22(14(24)11-21-5-7-27-8-6-21)15-16(19)23(10-13(3)4)18(26)20-17(15)25/h12-13H,5-11,19H2,1-4H3,(H,20,25,26)/p+1
InChIKeyLFDQBKGGQOVLLP-UHFFFAOYSA-O
MW382.49 g/mol
LogP-1.32
Rot. Bonds7

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

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2469948) has the molecular formula C18H32N5O4+ and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide
PubChem CID2469948
Molecular FormulaC18H32N5O4+
Molecular Weight382.49 g/mol
Exact Mass382.24
IUPAC NameN-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide
SMILESCC(C)CN(C(=O)C[NH+]1CCOCC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C18H31N5O4/c1-12(2)9-22(14(24)11-21-5-7-27-8-6-21)15-16(19)23(10-13(3)4)18(26)20-17(15)25/h12-13H,5-11,19H2,1-4H3,(H,20,25,26)/p+1
InChIKeyLFDQBKGGQOVLLP-UHFFFAOYSA-O
XLogP-1.32
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-(2-methylpropyl)acetamide
CID 2406568
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-3-methyl-N-(2-methylpropyl)butanamide
CID 31288285
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(azocan-1-ium-1-yl)-N-butylacetamide
CID 8583532
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)cyclopropanecarboxamide
CID 29298957
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-3-phenylpropanamide
CID 2558690
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-thiophen-2-ylacetamide
CID 29298893
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-(2-methylpiperidin-1-yl)-N-(2-methylpropyl)acetamide
CID 5019607
(3R)-N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8016898
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 2684449
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-methoxyethyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide
CID 8896893
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 3954861

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide (CID 2469948) is N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide is CC(C)CN(C(=O)C[NH+]1CCOCC1)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-methylpropyl)-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is LFDQBKGGQOVLLP-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31N5O4/c1-12(2)9-22(14(24)11-21-5-7-27-8-6-21)15-16(19)23(10-13(3)4)18(26)20-17(15)25/h12-13H,5-11,19H2,1-4H3,(H,20,25,26)/p+1.
What are the key properties of N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide?
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methylpropyl)-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 382.49 g/mol, XLogP of -1.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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-methylpropyl)-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2469948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).