N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine

C19H18ClN3O2 — CID 67141573

IUPACN-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccccc1-c1cnc(Nc2ccc(OCCCl)cc2)nc1
InChIInChI=1S/C19H18ClN3O2/c1-24-18-5-3-2-4-17(18)14-12-21-19(22-13-14)23-15-6-8-16(9-7-15)25-11-10-20/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)
InChIKeySVEYZOXWCVKSIQ-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.51
Rot. Bonds7

About N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine

N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine (PubChem CID 67141573) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine
PubChem CID67141573
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC NameN-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccccc1-c1cnc(Nc2ccc(OCCCl)cc2)nc1
InChIInChI=1S/C19H18ClN3O2/c1-24-18-5-3-2-4-17(18)14-12-21-19(22-13-14)23-15-6-8-16(9-7-15)25-11-10-20/h2-9,12-13H,10-11H2,1H3,(H,21,22,23)
InChIKeySVEYZOXWCVKSIQ-UHFFFAOYSA-N
XLogP4.51
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine (CID 67141573) is N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine is COc1ccccc1-c1cnc(Nc2ccc(OCCCl)cc2)nc1.
What is the InChIKey of N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is SVEYZOXWCVKSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-24-18-5-3-2-4-17(18)14-12-21-19(22-13-14)23-15-6-8-16(9-7-15)25-11-10-20/h2-9,12-13H,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine?
N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 355.83 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-chloroethoxy)phenyl]-5-(2-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 67141573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).