2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

C15H17ClN4O2 — CID 54850622

IUPAC2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1cc(OCc2nc(N)nc(C)c2C(N)=O)cc(C)c1Cl
InChIInChI=1S/C15H17ClN4O2/c1-7-4-10(5-8(2)13(7)16)22-6-11-12(14(17)21)9(3)19-15(18)20-11/h4-5H,6H2,1-3H3,(H2,17,21)(H2,18,19,20)
InChIKeyWYOIMDSXZVOZQX-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.32
Rot. Bonds4

About 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850622) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850622
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1cc(OCc2nc(N)nc(C)c2C(N)=O)cc(C)c1Cl
InChIInChI=1S/C15H17ClN4O2/c1-7-4-10(5-8(2)13(7)16)22-6-11-12(14(17)21)9(3)19-15(18)20-11/h4-5H,6H2,1-3H3,(H2,17,21)(H2,18,19,20)
InChIKeyWYOIMDSXZVOZQX-UHFFFAOYSA-N
XLogP2.32
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-methyl-6-[(4-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54851072
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxamide
CID 54850982
2-amino-4-[(3-ethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850457
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-[(4-chlorophenoxy)methyl]-6-methylpyrimidine-5-carboxylic acid
CID 54851309
2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54851170
2-amino-4-methyl-6-(naphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 54851615
2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
CID 54850496
ethyl 2-amino-4-[(4-methoxyphenoxy)methyl]-6-methylpyrimidine-5-carboxylate
CID 54851405
2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851529
2-amino-N-ethyl-4-methyl-6-[(3-methylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853624
2-amino-N,N-diethyl-4-methyl-6-[(4-propan-2-ylphenoxy)methyl]pyrimidine-5-carboxamide
CID 54853778

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide (CID 54850622) is 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is Cc1cc(OCc2nc(N)nc(C)c2C(N)=O)cc(C)c1Cl.
What is the InChIKey of 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is WYOIMDSXZVOZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-7-4-10(5-8(2)13(7)16)22-6-11-12(14(17)21)9(3)19-15(18)20-11/h4-5H,6H2,1-3H3,(H2,17,21)(H2,18,19,20).
What are the key properties of 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).