N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

C10H16N4O2 — CID 43500389

IUPACN-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NCCCO)c1ncccn1
InChIInChI=1S/C10H16N4O2/c1-14(10-12-4-2-5-13-10)8-9(16)11-6-3-7-15/h2,4-5,15H,3,6-8H2,1H3,(H,11,16)
InChIKeyWSRVNPNTNIDQMO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.59
Rot. Bonds6

About N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide

N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (PubChem CID 43500389) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
PubChem CID43500389
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
SMILESCN(CC(=O)NCCCO)c1ncccn1
InChIInChI=1S/C10H16N4O2/c1-14(10-12-4-2-5-13-10)8-9(16)11-6-3-7-15/h2,4-5,15H,3,6-8H2,1H3,(H,11,16)
InChIKeyWSRVNPNTNIDQMO-UHFFFAOYSA-N
XLogP-0.59
TPSA78.35 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 ≤ 5-0.59
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

6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
2-[2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]ethoxy]acetic acid
CID 79457446
N-[(2S)-2-hydroxypropyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 83057842
2-hydroxy-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanamide
CID 106164955
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410
N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide
CID 134710890
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 113313381
2-methyl-3-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 62675666
methyl 2-[methyl(pyrimidin-2-yl)amino]acetate
CID 60660073
N-[(2-methylpropan-2-yl)oxy]-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 82723385
2-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]oxyacetic acid
CID 63931363
2-(dimethylamino)-N-(18-hydroxyoctadecyl)acetamide
CID 163653558

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The IUPAC name of N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide (CID 43500389) is N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide.
What is the SMILES notation for N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The canonical SMILES for N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is CN(CC(=O)NCCCO)c1ncccn1.
What is the InChIKey of N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
The InChIKey is WSRVNPNTNIDQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-14(10-12-4-2-5-13-10)8-9(16)11-6-3-7-15/h2,4-5,15H,3,6-8H2,1H3,(H,11,16).
What are the key properties of N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide?
N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide has a molecular weight of 224.26 g/mol, XLogP of -0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide is sourced from PubChem (CID 43500389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).