2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide

C17H22N4O2 — CID 54853917

IUPAC2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1COc1ccc(C)cc1C
InChIInChI=1S/C17H22N4O2/c1-5-19-16(22)15-12(4)20-17(18)21-13(15)9-23-14-7-6-10(2)8-11(14)3/h6-8H,5,9H2,1-4H3,(H,19,22)(H2,18,20,21)
InChIKeyGIFZDJRNFSBJPR-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.31
Rot. Bonds5

About 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide

2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide (PubChem CID 54853917) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
PubChem CID54853917
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1COc1ccc(C)cc1C
InChIInChI=1S/C17H22N4O2/c1-5-19-16(22)15-12(4)20-17(18)21-13(15)9-23-14-7-6-10(2)8-11(14)3/h6-8H,5,9H2,1-4H3,(H,19,22)(H2,18,20,21)
InChIKeyGIFZDJRNFSBJPR-UHFFFAOYSA-N
XLogP2.31
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-amino-4-[(2,4-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851778
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-4-[(2,5-dimethylphenoxy)methyl]-N,6-dimethylpyrimidine-5-carboxamide
CID 54853723
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853663
2-amino-4-[(2,4-ditert-butylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54850590
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-(2,4-dimethylphenoxy)-N-ethylacetamide
CID 965411
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
N-(4,6-diamino-1,3,5-triazin-2-yl)-2-(2,4-dimethylphenoxy)acetamide
CID 70962503
methyl 2-amino-6-[(2,4-dimethylphenoxy)methyl]benzoate
CID 104825290
2-[(2,4-dimethylphenoxy)methyl]-1,3-thiazole-5-carbohydrazide
CID 82422937

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide (CID 54853917) is 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1COc1ccc(C)cc1C.
What is the InChIKey of 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
The InChIKey is GIFZDJRNFSBJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-5-19-16(22)15-12(4)20-17(18)21-13(15)9-23-14-7-6-10(2)8-11(14)3/h6-8H,5,9H2,1-4H3,(H,19,22)(H2,18,20,21).
What are the key properties of 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide?
2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,4-dimethylphenoxy)methyl]-N-ethyl-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54853917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).