2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

C12H19ClN4O2 — CID 80663277

IUPAC2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C12H19ClN4O2/c1-9-6-10(13)16-11(15-9)7-17(2)8-12(18)14-4-5-19-3/h6H,4-5,7-8H2,1-3H3,(H,14,18)
InChIKeyCAUWCCFHNRLFLB-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.63
Rot. Bonds7

About 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide

2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (PubChem CID 80663277) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
PubChem CID80663277
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)Cc1nc(C)cc(Cl)n1
InChIInChI=1S/C12H19ClN4O2/c1-9-6-10(13)16-11(15-9)7-17(2)8-12(18)14-4-5-19-3/h6H,4-5,7-8H2,1-3H3,(H,14,18)
InChIKeyCAUWCCFHNRLFLB-UHFFFAOYSA-N
XLogP0.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 47145617
2-[(4-chloro-2-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 79255516
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 82979017
2-[(3-chloro-4-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 71910467
2-[(3-bromophenyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 51254044
2-[(2-amino-4-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62465174
2-[4-[[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 105345852
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 51227933
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propan-2-ylamino]acetate
CID 80658262
methyl 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-propylamino]acetate
CID 80656944
N-ethyl-2-[methyl-[[4-methyl-6-(methylamino)pyrimidin-2-yl]methyl]amino]acetamide
CID 80657553
2-[(6-amino-3-pyridinyl)methyl-methylamino]-N-(2-methoxyethyl)acetamide
CID 62209093

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide (CID 80663277) is 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)Cc1nc(C)cc(Cl)n1.
What is the InChIKey of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
The InChIKey is CAUWCCFHNRLFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-9-6-10(13)16-11(15-9)7-17(2)8-12(18)14-4-5-19-3/h6H,4-5,7-8H2,1-3H3,(H,14,18).
What are the key properties of 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide?
2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide has a molecular weight of 286.76 g/mol, XLogP of 0.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-methylpyrimidin-2-yl)methyl-methylamino]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 80663277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).