2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine

C12H11Cl2N3O — CID 79632163

IUPAC2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-18-10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyHJNAWMVVZWZOTG-UHFFFAOYSA-N
MW284.15 g/mol
LogP3.93
Rot. Bonds4

About 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine

2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine (PubChem CID 79632163) has the molecular formula C12H11Cl2N3O and a molecular weight of 284.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
PubChem CID79632163
Molecular FormulaC12H11Cl2N3O
Molecular Weight284.15 g/mol
Exact Mass283.03
IUPAC Name2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine
SMILESCCOc1ccccc1Nc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N3O/c1-2-18-10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H,15,16,17)
InChIKeyHJNAWMVVZWZOTG-UHFFFAOYSA-N
XLogP3.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dichloro-N-(2-propylphenyl)pyrimidin-4-amine
CID 79632081
2,5-dichloro-N-(3,4-diethoxyphenyl)pyrimidin-4-amine
CID 79639325
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
5-N,6-N-bis(2-ethoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 142482627
2,5-dichloro-N-(2-ethylsulfinylphenyl)pyrimidin-4-amine
CID 167216908
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
2-chloro-5-fluoro-N-(2-methoxyphenyl)pyrimidin-4-amine
CID 4542663
2,5-dichloro-N-(2-methylsulfinylphenyl)pyrimidin-4-amine
CID 167216736
2,5-dichloro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 79632372
2,5-dichloro-N-(2-dimethylphosphorylphenyl)pyrimidin-4-amine;methane
CID 160740331
5-chloro-4-N-(2-ethoxyphenyl)pyrimidine-4,6-diamine
CID 114049785
2-[(2,5-dichloropyrimidin-4-yl)amino]benzoic acid
CID 71501536

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine (CID 79632163) is 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine is CCOc1ccccc1Nc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine?
The InChIKey is HJNAWMVVZWZOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O/c1-2-18-10-6-4-3-5-9(10)16-11-8(13)7-15-12(14)17-11/h3-7H,2H2,1H3,(H,15,16,17).
What are the key properties of 2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-ethoxyphenyl)pyrimidin-4-amine has a molecular weight of 284.15 g/mol, XLogP of 3.93, 4 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-ethoxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 79632163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).