2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide

C11H19N5O — CID 115978158

IUPAC2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nccc(N)n1
InChIInChI=1S/C11H19N5O/c1-4-16(5-2)10(17)8-15(3)11-13-7-6-9(12)14-11/h6-7H,4-5,8H2,1-3H3,(H2,12,13,14)
InChIKeyWFAZWZGPMKIZSI-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.36
Rot. Bonds5

About 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide

2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide (PubChem CID 115978158) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
PubChem CID115978158
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CN(C)c1nccc(N)n1
InChIInChI=1S/C11H19N5O/c1-4-16(5-2)10(17)8-15(3)11-13-7-6-9(12)14-11/h6-7H,4-5,8H2,1-3H3,(H2,12,13,14)
InChIKeyWFAZWZGPMKIZSI-UHFFFAOYSA-N
XLogP0.36
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-aminopyrimidin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 115978164
2-[[3-(aminomethyl)pyrazin-2-yl]-methylamino]-N,N-diethylacetamide
CID 62673044
2-[[5-chloro-2-[[2-(diethylamino)-2-oxoethyl]-methylamino]pyrimidin-4-yl]-methylamino]-N,N-diethylacetamide
CID 71863717
N,N-diethyl-2-[(5-formylpyrimidin-2-yl)-methylamino]acetamide
CID 113387641
ethyl 2-[methyl-(4-methylpyrimidin-2-yl)amino]acetate
CID 62958932
2-[(4-carbamothioyl-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 61452633
2-[[4-(aminomethyl)-6-methylpyrimidin-2-yl]-methylamino]-N,N-diethylacetamide
CID 107541774
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N,N-diethylacetamide
CID 136989947
3-[ethyl-[2-[methyl(pyrimidin-2-yl)amino]acetyl]amino]propanoic acid
CID 61007981
2-[(2-amino-7H-purin-6-yl)-methylamino]-N,N-diethylacetamide
CID 115669354
N,N-dimethylacetamide;pyrimidine-2,4-diamine
CID 139062338
2-[(5-amino-3-bromo-2-pyridinyl)-methylamino]-N,N-diethylacetamide
CID 79531880

Frequently Asked Questions

What is the IUPAC name of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide?
The IUPAC name of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide (CID 115978158) is 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide.
What is the SMILES notation for 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide?
The canonical SMILES for 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide is CCN(CC)C(=O)CN(C)c1nccc(N)n1.
What is the InChIKey of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide?
The InChIKey is WFAZWZGPMKIZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-16(5-2)10(17)8-15(3)11-13-7-6-9(12)14-11/h6-7H,4-5,8H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide?
2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide has a molecular weight of 237.31 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-aminopyrimidin-2-yl)-methylamino]-N,N-diethylacetamide is sourced from PubChem (CID 115978158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).