N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide

C10H16N4O2 — CID 110834271

IUPACN-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide
SMILESCc1cncnc1OCC(=O)NCCCN
InChIInChI=1S/C10H16N4O2/c1-8-5-12-7-14-10(8)16-6-9(15)13-4-2-3-11/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyYGNIDWQKEIXUIN-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.37
Rot. Bonds6

About N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide

N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide (PubChem CID 110834271) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide
PubChem CID110834271
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide
SMILESCc1cncnc1OCC(=O)NCCCN
InChIInChI=1S/C10H16N4O2/c1-8-5-12-7-14-10(8)16-6-9(15)13-4-2-3-11/h5,7H,2-4,6,11H2,1H3,(H,13,15)
InChIKeyYGNIDWQKEIXUIN-UHFFFAOYSA-N
XLogP-0.37
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-2-(5-methylpyrimidin-4-yl)oxyacetamide
CID 110834268
N-(3-aminopropyl)-2-(4-methylphenoxy)acetamide;hydrochloride
CID 119405354
N-(4-aminobutyl)-2-(2,6-dimethylphenoxy)acetamide
CID 82335715
N'-(5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 139496375
(5-methylpyrimidin-4-yl) N-(2-hydroxypropyl)carbamate
CID 83820913
N-(3-aminopropyl)-2-(3,5-difluorophenoxy)acetamide
CID 110488128
N-(3-aminopropyl)-2-(3-methyl-5-propan-2-ylphenoxy)acetamide
CID 110834191
N-(3-aminopropyl)propanamide
CID 21290277
(5-methylpyrimidin-4-yl) N-(2-hydroxy-2-methylpropyl)carbamate
CID 83823314
N-(3-aminopropyl)-2-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 83617756
2-(2,6-dimethylphenoxy)-N-[6-[[2-(2,6-dimethylphenoxy)acetyl]amino]hexyl]acetamide
CID 3463804
N-(3-aminopropyl)-3-pyridin-4-ylpropanamide
CID 79018013

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide?
The IUPAC name of N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide (CID 110834271) is N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide is Cc1cncnc1OCC(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide?
The InChIKey is YGNIDWQKEIXUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-8-5-12-7-14-10(8)16-6-9(15)13-4-2-3-11/h5,7H,2-4,6,11H2,1H3,(H,13,15).
What are the key properties of N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide?
N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide has a molecular weight of 224.26 g/mol, XLogP of -0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-(5-methylpyrimidin-4-yl)oxyacetamide is sourced from PubChem (CID 110834271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).