5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine

C16H15Cl2N5O2 — CID 155086804

IUPAC5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
SMILESCOc1ccc(-n2nccc2OCCNc2ncnc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2N5O2/c1-24-12-4-2-11(3-5-12)23-13(6-7-22-23)25-9-8-19-16-14(17)15(18)20-10-21-16/h2-7,10H,8-9H2,1H3,(H,19,20,21)
InChIKeyZMFTUJQODNSDCL-UHFFFAOYSA-N
MW380.24 g/mol
LogP3.47
Rot. Bonds7

About 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine

5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine (PubChem CID 155086804) has the molecular formula C16H15Cl2N5O2 and a molecular weight of 380.24 g/mol. Its IUPAC name is 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
PubChem CID155086804
Molecular FormulaC16H15Cl2N5O2
Molecular Weight380.24 g/mol
Exact Mass379.06
IUPAC Name5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
SMILESCOc1ccc(-n2nccc2OCCNc2ncnc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2N5O2/c1-24-12-4-2-11(3-5-12)23-13(6-7-22-23)25-9-8-19-16-14(17)15(18)20-10-21-16/h2-7,10H,8-9H2,1H3,(H,19,20,21)
InChIKeyZMFTUJQODNSDCL-UHFFFAOYSA-N
XLogP3.47
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane
CID 160569200
5-chloro-6-(1-chloroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982854
6-chloro-N-[2-(2-chloro-4-methoxyphenoxy)ethyl]-5-methylpyrimidin-4-amine
CID 13075470
3-[[1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]propan-1-ol
CID 3569216
5-chloro-6-(1-fluoroethyl)-N-[2-(4-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 18982877
4-chloro-6-[2-(4-methoxyphenyl)ethylamino]pyrimidine-5-carbaldehyde
CID 66368177
N-[2-(4-methoxyphenoxy)ethyl]quinazolin-4-amine
CID 12928811
6-chloro-5-(2-chloroethyl)-N-[(4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 118129224
N-[[2-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107447326
5-chloro-N-[2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethyl]-6-methylpyrimidin-4-amine;4,5-dichloro-6-methylpyrimidine;2-[4-(4,6-dimethoxypyrimidin-2-yl)oxyphenyl]ethanamine
CID 158304538
5-bromo-1-(4-methoxyphenyl)pyrazole
CID 79020309
5-chloro-4-N-[[1-(4-methoxyphenyl)pyrazol-3-yl]methyl]pyrimidine-4,6-diamine
CID 122138740

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine (CID 155086804) is 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine is COc1ccc(-n2nccc2OCCNc2ncnc(Cl)c2Cl)cc1.
What is the InChIKey of 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The InChIKey is ZMFTUJQODNSDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O2/c1-24-12-4-2-11(3-5-12)23-13(6-7-22-23)25-9-8-19-16-14(17)15(18)20-10-21-16/h2-7,10H,8-9H2,1H3,(H,19,20,21).
What are the key properties of 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine has a molecular weight of 380.24 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine is sourced from PubChem (CID 155086804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).