2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

C13H13Cl2N3O — CID 79632889

IUPAC2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H13Cl2N3O/c1-19-10-4-2-9(3-5-10)6-7-16-12-11(14)8-17-13(15)18-12/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyCSKYLOXPTQMJJZ-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.45
Rot. Bonds5

About 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine

2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (PubChem CID 79632889) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
PubChem CID79632889
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
SMILESCOc1ccc(CCNc2nc(Cl)ncc2Cl)cc1
InChIInChI=1S/C13H13Cl2N3O/c1-19-10-4-2-9(3-5-10)6-7-16-12-11(14)8-17-13(15)18-12/h2-5,8H,6-7H2,1H3,(H,16,17,18)
InChIKeyCSKYLOXPTQMJJZ-UHFFFAOYSA-N
XLogP3.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dichloro-6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridin-2-amine
CID 102762415
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
2-chloro-N-[2-(4-chlorophenyl)ethyl]-5-fluoropyrimidin-4-amine
CID 79081252
2,5-dichloro-N-(4-methoxybutyl)pyrimidin-4-amine
CID 79633123
2,5-dichloro-N-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 79632690
2-N,3-N-bis[2-(4-methoxyphenyl)ethyl]quinoxaline-2,3-diamine
CID 1023772
5-chloro-2-[2-(4-methoxyphenyl)ethylamino]pyridine-4-carboxylic acid
CID 114919065
2,5-dichloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 162343021
5-chloro-2-hydrazinyl-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 80932410
4-[2-[[5-chloro-2-(methylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797848
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
4-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 66368177

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine (CID 79632889) is 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is COc1ccc(CCNc2nc(Cl)ncc2Cl)cc1.
What is the InChIKey of 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
The InChIKey is CSKYLOXPTQMJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-19-10-4-2-9(3-5-10)6-7-16-12-11(14)8-17-13(15)18-12/h2-5,8H,6-7H2,1H3,(H,16,17,18).
What are the key properties of 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine?
2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine has a molecular weight of 298.17 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 79632889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).