2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide

C16H20N4O2 — CID 54853624

IUPAC2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1COc1cccc(C)c1
InChIInChI=1S/C16H20N4O2/c1-4-18-15(21)14-11(3)19-16(17)20-13(14)9-22-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeySFIGNNUYLRDHFH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.00
Rot. Bonds5

About 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide

2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide (PubChem CID 54853624) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
PubChem CID54853624
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1c(C)nc(N)nc1COc1cccc(C)c1
InChIInChI=1S/C16H20N4O2/c1-4-18-15(21)14-11(3)19-16(17)20-13(14)9-22-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,18,21)(H2,17,19,20)
InChIKeySFIGNNUYLRDHFH-UHFFFAOYSA-N
XLogP2.00
TPSA90.13 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 ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
2-amino-N-ethyl-4-methyl-6-(3-propoxyphenyl)pyrimidine-5-carboxamide
CID 54853812
2-amino-4-[(2,6-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851565
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-amino-N,4-dimethyl-6-[(4-phenylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54854022
2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-4-[(2-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851833
2-amino-4-[1-(2,5-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853663
2-amino-4-[1-(2,6-dimethylphenoxy)ethyl]-N-ethyl-6-methylpyrimidine-5-carboxamide
CID 54853773
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide (CID 54853624) is 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide is CCNC(=O)c1c(C)nc(N)nc1COc1cccc(C)c1.
What is the InChIKey of 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide?
The InChIKey is SFIGNNUYLRDHFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-4-18-15(21)14-11(3)19-16(17)20-13(14)9-22-12-7-5-6-10(2)8-12/h5-8H,4,9H2,1-3H3,(H,18,21)(H2,17,19,20).
What are the key properties of 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide?
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 54853624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).