N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide

C11H17ClN4O — CID 134710890

IUPACN-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)c1ncc(Cl)cn1
InChIInChI=1S/C11H17ClN4O/c1-3-4-5-13-10(17)8-16(2)11-14-6-9(12)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyWNHVOONYFRVMKF-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.48
Rot. Bonds6

About N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide

N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide (PubChem CID 134710890) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide.

Molecular Properties

Compound NameN-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide
PubChem CID134710890
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC NameN-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide
SMILESCCCCNC(=O)CN(C)c1ncc(Cl)cn1
InChIInChI=1S/C11H17ClN4O/c1-3-4-5-13-10(17)8-16(2)11-14-6-9(12)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,13,17)
InChIKeyWNHVOONYFRVMKF-UHFFFAOYSA-N
XLogP1.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxypropyl)-2-[methyl(pyrimidin-2-yl)amino]acetamide
CID 43500389
6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]hexanoic acid
CID 43352886
ethyl 4-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]butanoate
CID 61344211
N-butyl-3-(4-chloropyrazol-1-yl)propanamide
CID 19539689
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propylacetamide
CID 62858047
2-[(2-amino-5-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 80808691
2-[(6-chloropyrimidin-4-yl)-methylamino]-N-propylacetamide
CID 60725995
methyl 3-[[2-[(5-chloro-2-pyridinyl)-methylamino]acetyl]amino]propanoate
CID 47363961
5-chloro-2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]pyridine-4-carboxylic acid
CID 114919353
2-[methyl(pyrimidin-2-yl)amino]-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 64530410
N-butyl-4-chlorobutanamide
CID 4218503
N-butyl-2-(diethylamino)acetamide
CID 54813643

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide?
The IUPAC name of N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide (CID 134710890) is N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide.
What is the SMILES notation for N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide?
The canonical SMILES for N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide is CCCCNC(=O)CN(C)c1ncc(Cl)cn1.
What is the InChIKey of N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide?
The InChIKey is WNHVOONYFRVMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-3-4-5-13-10(17)8-16(2)11-14-6-9(12)7-15-11/h6-7H,3-5,8H2,1-2H3,(H,13,17).
What are the key properties of N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide?
N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide has a molecular weight of 256.74 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(5-chloropyrimidin-2-yl)-methylamino]acetamide is sourced from PubChem (CID 134710890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).