2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide

C16H20N4O2 — CID 54850762

IUPAC2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
SMILESCCc1ccc(OC(C)c2nc(N)nc(C)c2C(N)=O)cc1
InChIInChI=1S/C16H20N4O2/c1-4-11-5-7-12(8-6-11)22-10(3)14-13(15(17)21)9(2)19-16(18)20-14/h5-8,10H,4H2,1-3H3,(H2,17,21)(H2,18,19,20)
InChIKeyCRNLGGUOETZLJW-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.17
Rot. Bonds5

About 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850762) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850762
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide
SMILESCCc1ccc(OC(C)c2nc(N)nc(C)c2C(N)=O)cc1
InChIInChI=1S/C16H20N4O2/c1-4-11-5-7-12(8-6-11)22-10(3)14-13(15(17)21)9(2)19-16(18)20-14/h5-8,10H,4H2,1-3H3,(H2,17,21)(H2,18,19,20)
InChIKeyCRNLGGUOETZLJW-UHFFFAOYSA-N
XLogP2.17
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[1-(4-ethylphenoxy)ethyl]-N,N,6-trimethylpyrimidine-5-carboxamide
CID 54852104
ethyl 2-amino-4-methyl-6-(1-phenoxyethyl)pyrimidine-5-carboxylate
CID 54851451
2-amino-4-[1-(4-chlorophenoxy)ethyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851756
2-amino-N,N-diethyl-4-methyl-6-[1-(4-nitrophenoxy)ethyl]pyrimidine-5-carboxamide
CID 54853639
2-amino-4-[1-(2-methoxyphenoxy)ethyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851712
2-amino-4-methyl-6-[1-(4-phenylphenoxy)propyl]pyrimidine-5-carboxylic acid
CID 54850950
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
2-amino-N,N,4-trimethyl-6-(1-phenoxypropyl)pyrimidine-5-carboxamide
CID 54852291
2-[1-(4-ethylphenoxy)ethyl]-5,6-dimethyl-1H-benzimidazole
CID 46264658
2-amino-4-(4-butoxyphenyl)-6-methylpyrimidine-5-carboxamide
CID 54850497
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-(4-ethylphenoxy)pentan-3-one
CID 64866307

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide (CID 54850762) is 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide is CCc1ccc(OC(C)c2nc(N)nc(C)c2C(N)=O)cc1.
What is the InChIKey of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is CRNLGGUOETZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-11-5-7-12(8-6-11)22-10(3)14-13(15(17)21)9(2)19-16(18)20-14/h5-8,10H,4H2,1-3H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(4-ethylphenoxy)ethyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).