2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide

C15H16Cl2N4O2 — CID 54850496

IUPAC2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(CCCOc2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C15H16Cl2N4O2/c1-8-13(14(18)22)11(21-15(19)20-8)3-2-6-23-12-5-4-9(16)7-10(12)17/h4-5,7H,2-3,6H2,1H3,(H2,18,22)(H2,19,20,21)
InChIKeyHNFLAGGYLAFFFL-UHFFFAOYSA-N
MW355.23 g/mol
LogP2.78
Rot. Bonds6

About 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide

2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide (PubChem CID 54850496) has the molecular formula C15H16Cl2N4O2 and a molecular weight of 355.23 g/mol. Its IUPAC name is 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
PubChem CID54850496
Molecular FormulaC15H16Cl2N4O2
Molecular Weight355.23 g/mol
Exact Mass354.07
IUPAC Name2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide
SMILESCc1nc(N)nc(CCCOc2ccc(Cl)cc2Cl)c1C(N)=O
InChIInChI=1S/C15H16Cl2N4O2/c1-8-13(14(18)22)11(21-15(19)20-8)3-2-6-23-12-5-4-9(16)7-10(12)17/h4-5,7H,2-3,6H2,1H3,(H2,18,22)(H2,19,20,21)
InChIKeyHNFLAGGYLAFFFL-UHFFFAOYSA-N
XLogP2.78
TPSA104.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.23
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-[(2,4-dichlorophenoxy)methyl]-6-methylpyrimidine-5-carbohydrazide
CID 54851529
2-amino-4-[(4-chloro-3,5-dimethylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850622
2-amino-4-[(4-bromo-2-methylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54850715
2-amino-4-[(2-bromo-4-tert-butylphenoxy)methyl]-6-methylpyrimidine-5-carboxamide
CID 54851170
3-[2-(2,4-dichlorophenoxy)ethoxy]-2,6-dimethylpyridine
CID 57393480
3-(2,4-dichlorophenoxy)-2,2-dimethylpropanamide
CID 82090673
3-pyridin-4-ylpropyl 2-(2,4-dichlorophenoxy)acetate
CID 169177885
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
4-[3-(2,4-dichlorophenoxy)propylamino]pyridine-3-carboxamide
CID 133469039
5-[3-(2-chlorophenoxy)propyl]-6-methylpyrimidine-2,4-diamine
CID 44531878
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide (CID 54850496) is 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide is Cc1nc(N)nc(CCCOc2ccc(Cl)cc2Cl)c1C(N)=O.
What is the InChIKey of 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide?
The InChIKey is HNFLAGGYLAFFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4O2/c1-8-13(14(18)22)11(21-15(19)20-8)3-2-6-23-12-5-4-9(16)7-10(12)17/h4-5,7H,2-3,6H2,1H3,(H2,18,22)(H2,19,20,21).
What are the key properties of 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide?
2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide has a molecular weight of 355.23 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[3-(2,4-dichlorophenoxy)propyl]-6-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 54850496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).