6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine

C14H15Cl2N3O — CID 13075469

IUPAC6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1ccc(OCCNc2ncnc(Cl)c2C)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-9-3-4-12(11(15)7-9)20-6-5-17-14-10(2)13(16)18-8-19-14/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyJPLYVHPLWRVSCH-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.89
Rot. Bonds5

About 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine

6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine (PubChem CID 13075469) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine
PubChem CID13075469
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine
SMILESCc1ccc(OCCNc2ncnc(Cl)c2C)c(Cl)c1
InChIInChI=1S/C14H15Cl2N3O/c1-9-3-4-12(11(15)7-9)20-6-5-17-14-10(2)13(16)18-8-19-14/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19)
InChIKeyJPLYVHPLWRVSCH-UHFFFAOYSA-N
XLogP3.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine
CID 13075470
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
2-[2-(2-chloro-4-methylphenoxy)ethylamino]ethanol
CID 2262928
6-chloro-5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidin-4-amine
CID 63833719
N-[2-(2-chloro-5-methylphenoxy)ethyl]-4-methylaniline
CID 55195145
N-[2-(2-chloro-4-methylphenoxy)ethyl]cyclopropanamine
CID 62671091
3-(2-chloro-4-methylphenoxy)-N-(2-methoxyethyl)propan-1-amine
CID 62671685
N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
N-butyl-6-chloro-5-methylpyrimidin-4-amine
CID 63729913
N-[2-(2-methoxy-4-methylphenoxy)ethyl]quinazolin-4-amine
CID 12928849
N-[2-(2-chloro-4-methylphenoxy)ethyl]-3-methylbutan-1-amine
CID 62672412

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine (CID 13075469) is 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine is Cc1ccc(OCCNc2ncnc(Cl)c2C)c(Cl)c1.
What is the InChIKey of 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine?
The InChIKey is JPLYVHPLWRVSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c1-9-3-4-12(11(15)7-9)20-6-5-17-14-10(2)13(16)18-8-19-14/h3-4,7-8H,5-6H2,1-2H3,(H,17,18,19).
What are the key properties of 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine?
6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine has a molecular weight of 312.20 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(2-chloro-4-methylphenoxy)ethyl]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 13075469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).