2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

C15H18N4O2 — CID 54850457

IUPAC2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCCc1cccc(OCc2nc(N)nc(C)c2C(N)=O)c1
InChIInChI=1S/C15H18N4O2/c1-3-10-5-4-6-11(7-10)21-8-12-13(14(16)20)9(2)18-15(17)19-12/h4-7H,3,8H2,1-2H3,(H2,16,20)(H2,17,18,19)
InChIKeyFCIXXEMXRQPTRM-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.61
Rot. Bonds5

About 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850457) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850457
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCCc1cccc(OCc2nc(N)nc(C)c2C(N)=O)c1
InChIInChI=1S/C15H18N4O2/c1-3-10-5-4-6-11(7-10)21-8-12-13(14(16)20)9(2)18-15(17)19-12/h4-7H,3,8H2,1-2H3,(H2,16,20)(H2,17,18,19)
InChIKeyFCIXXEMXRQPTRM-UHFFFAOYSA-N
XLogP1.61
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
3-[(3-ethylphenoxy)methyl]-4-methyl-1,2,5-oxadiazole
CID 64765480
6-[(3-ethylphenoxy)methyl]pyridin-2-amine
CID 79239703
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
4-[(3-ethylphenoxy)methyl]-1,3-thiazole-5-carboxylic acid
CID 82225632
4-(3-ethylphenoxy)butanamide
CID 82040637
3-chloro-4-[(3-ethylphenoxy)methyl]benzamide
CID 102670676

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (CID 54850457) is 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is CCc1cccc(OCc2nc(N)nc(C)c2C(N)=O)c1.
What is the InChIKey of 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is FCIXXEMXRQPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-3-10-5-4-6-11(7-10)21-8-12-13(14(16)20)9(2)18-15(17)19-12/h4-7H,3,8H2,1-2H3,(H2,16,20)(H2,17,18,19).
What are the key properties of 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 286.34 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).