N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide

C9H14N4O — CID 122354210

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C9H14N4O/c1-7(14)11-6-8-4-5-10-9(12-8)13(2)3/h4-5H,6H2,1-3H3,(H,11,14)
InChIKeyYCDWOECYTYTCEZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.18
Rot. Bonds3

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide (PubChem CID 122354210) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
PubChem CID122354210
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc(N(C)C)n1
InChIInChI=1S/C9H14N4O/c1-7(14)11-6-8-4-5-10-9(12-8)13(2)3/h4-5H,6H2,1-3H3,(H,11,14)
InChIKeyYCDWOECYTYTCEZ-UHFFFAOYSA-N
XLogP0.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]isoquinoline-1-carboxamide
CID 122354329
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenyl)acetamide
CID 73168053
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 75400804
2-bromo-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]benzamide
CID 122354483
1-(4-chlorophenyl)-3-[[2-(dimethylamino)pyrimidin-4-yl]methyl]urea
CID 91967701
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-4-methylthiadiazole-5-carboxamide
CID 122354245
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3-iodobenzamide
CID 122354488
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-3,5-dinitrobenzamide
CID 122354492
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(4-fluorophenoxy)acetamide
CID 122354280
2-(1-adamantyl)-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide
CID 122354327
N-[2-[[2-(dimethylamino)pyrimidin-4-yl]amino]ethyl]acetamide
CID 64828497
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 122354279

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide (CID 122354210) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc(N(C)C)n1.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
The InChIKey is YCDWOECYTYTCEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7(14)11-6-8-4-5-10-9(12-8)13(2)3/h4-5H,6H2,1-3H3,(H,11,14).
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide has a molecular weight of 194.24 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 122354210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).