4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine

C15H20ClN3O2 — CID 59598775

IUPAC4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine
SMILESCOc1cc(C(C)C)c(OC2=CNC(N)=NC2Cl)cc1C
InChIInChI=1S/C15H20ClN3O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8,14H,1-4H3,(H3,17,18,19)
InChIKeyIASJDWKQGVWZHH-UHFFFAOYSA-N
MW309.80 g/mol
LogP2.83
Rot. Bonds4

About 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine

4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine (PubChem CID 59598775) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine
PubChem CID59598775
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine
SMILESCOc1cc(C(C)C)c(OC2=CNC(N)=NC2Cl)cc1C
InChIInChI=1S/C15H20ClN3O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8,14H,1-4H3,(H3,17,18,19)
InChIKeyIASJDWKQGVWZHH-UHFFFAOYSA-N
XLogP2.83
TPSA68.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

aniline;4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine;5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-4-N-phenylpyrimidine-2,4-diamine
CID 158859870
1-methoxy-2-methyl-5-propan-2-yl-4-propan-2-yloxybenzene
CID 134182068
4-methoxy-5-methyl-2-propan-2-ylaniline;hydrochloride
CID 146675441
5-N-(4,5-dimethoxy-2-propan-2-ylphenyl)-1,4-dihydropyrimidine-2,4,5-triamine
CID 167262818
5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-2-N-methylpyrimidine-2,4-diamine
CID 149414681
1-(2,5-dimethoxy-4-methylphenyl)-2-methylpropane-1,3-diamine
CID 116933112
azetidin-3-yl-(4-methoxy-2-methyl-5-propan-2-ylphenyl)methanamine
CID 116935315
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethylhydrazine
CID 82473084
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 96668566
2,3-diamino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propan-1-ol
CID 116942367
4-methoxy-5-methyl-2-propan-2-ylbenzenesulfonyl chloride
CID 81004564

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine?
The IUPAC name of 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine (CID 59598775) is 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine.
What is the SMILES notation for 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine?
The canonical SMILES for 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine is COc1cc(C(C)C)c(OC2=CNC(N)=NC2Cl)cc1C.
What is the InChIKey of 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine?
The InChIKey is IASJDWKQGVWZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c1-8(2)10-6-11(20-4)9(3)5-12(10)21-13-7-18-15(17)19-14(13)16/h5-8,14H,1-4H3,(H3,17,18,19).
What are the key properties of 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine?
4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine has a molecular weight of 309.80 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4-methoxy-5-methyl-2-propan-2-ylphenoxy)-1,4-dihydropyrimidin-2-amine is sourced from PubChem (CID 59598775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).