6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine

C21H17N5O — CID 70671621

IUPAC6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cccnc2)c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C21H17N5O/c22-20-18(15-5-4-12-24-13-15)19(25-21(23)26-20)14-8-10-17(11-9-14)27-16-6-2-1-3-7-16/h1-13H,(H4,22,23,25,26)
InChIKeyCSWNIEIQYFUCKW-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.16
Rot. Bonds4

About 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine

6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine (PubChem CID 70671621) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine
PubChem CID70671621
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine
SMILESNc1nc(N)c(-c2cccnc2)c(-c2ccc(Oc3ccccc3)cc2)n1
InChIInChI=1S/C21H17N5O/c22-20-18(15-5-4-12-24-13-15)19(25-21(23)26-20)14-8-10-17(11-9-14)27-16-6-2-1-3-7-16/h1-13H,(H4,22,23,25,26)
InChIKeyCSWNIEIQYFUCKW-UHFFFAOYSA-N
XLogP4.16
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine (CID 70671621) is 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine is Nc1nc(N)c(-c2cccnc2)c(-c2ccc(Oc3ccccc3)cc2)n1.
What is the InChIKey of 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine?
The InChIKey is CSWNIEIQYFUCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c22-20-18(15-5-4-12-24-13-15)19(25-21(23)26-20)14-8-10-17(11-9-14)27-16-6-2-1-3-7-16/h1-13H,(H4,22,23,25,26).
What are the key properties of 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine?
6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine has a molecular weight of 355.40 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenoxyphenyl)-5-pyridin-3-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 70671621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).