[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium

C17H30N5O4+ — CID 162471982

IUPAC[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium
SMILESCNC(CCCC[NH3+])CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H29N5O4/c1-12-8-22(17(26)20-16(12)25)11-15(24)21(9-13(2)23)10-14(19-3)6-4-5-7-18/h8,14,19H,4-7,9-11,18H2,1-3H3,(H,20,25,26)/p+1
InChIKeyRPDPGHYECJXYCY-UHFFFAOYSA-O
MW368.46 g/mol
LogP-1.74
Rot. Bonds11

About [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium

[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium (PubChem CID 162471982) has the molecular formula C17H30N5O4+ and a molecular weight of 368.46 g/mol. Its IUPAC name is [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium.

Molecular Properties

Compound Name[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium
PubChem CID162471982
Molecular FormulaC17H30N5O4+
Molecular Weight368.46 g/mol
Exact Mass368.23
IUPAC Name[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium
SMILESCNC(CCCC[NH3+])CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C17H29N5O4/c1-12-8-22(17(26)20-16(12)25)11-15(24)21(9-13(2)23)10-14(19-3)6-4-5-7-18/h8,14,19H,4-7,9-11,18H2,1-3H3,(H,20,25,26)/p+1
InChIKeyRPDPGHYECJXYCY-UHFFFAOYSA-O
XLogP-1.74
TPSA131.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 5-1.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium with MolForge

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Related Compounds

2-[2-formamidopropyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 167509110
5-(diaminomethylideneamino)-N-[2-[[2-[[5-(diaminomethylideneamino)-1-[2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]ethylamino]-1-oxopentan-2-yl]amino]-2-oxoethyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]-2-(methylamino)pentanamide
CID 59260636
N-[(2S)-6-(diaminomethylideneamino)-2-(methylamino)hexyl]-N-(2-oxopropyl)-2-(4-oxo-2-sulfanylidenepyrimidin-1-yl)acetamide
CID 167121698
2-[2-acetamidoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid;ethane
CID 143450884
2-[2-(carbonofluoridoylamino)ethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 143914917
2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexyl]-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 155982377
N-ethyl-N-methyl-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 60759943
ethyl (2S)-2-[(2-amino-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]propanoate
CID 91000397
methyl 2-[(2-aminophenyl)methyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 10713526
N-(2-aminoethyl)-N-(3,3-dimethyl-2-oxobutyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 58903954
[(2R)-1-methoxy-3-(5-methyl-2,4-dioxopyrimidin-1-yl)-1-oxopropan-2-yl]azanium
CID 7289782
(2R)-6-amino-2-[2-aminoethyl-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)-[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]ethyl]hexanamide;bis(2,2,2-trifluoroacetic acid)
CID 25034631

Frequently Asked Questions

What is the IUPAC name of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
The IUPAC name of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium (CID 162471982) is [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium.
What is the SMILES notation for [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
The canonical SMILES for [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium is CNC(CCCC[NH3+])CN(CC(C)=O)C(=O)Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
The InChIKey is RPDPGHYECJXYCY-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H29N5O4/c1-12-8-22(17(26)20-16(12)25)11-15(24)21(9-13(2)23)10-14(19-3)6-4-5-7-18/h8,14,19H,4-7,9-11,18H2,1-3H3,(H,20,25,26)/p+1.
What are the key properties of [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium?
[5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium has a molecular weight of 368.46 g/mol, XLogP of -1.74, 11 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methylamino)-6-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]-(2-oxopropyl)amino]hexyl]azanium is sourced from PubChem (CID 162471982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).