3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol

C21H17N5O — CID 91613110

IUPAC3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol
SMILESOc1cccc(CN(c2ccncn2)c2cccc(-c3cccnc3)n2)c1
InChIInChI=1S/C21H17N5O/c27-18-6-1-4-16(12-18)14-26(20-9-11-23-15-24-20)21-8-2-7-19(25-21)17-5-3-10-22-13-17/h1-13,15,27H,14H2
InChIKeyVOFINPIXUQXBOI-UHFFFAOYSA-N
MW355.40 g/mol
LogP3.98
Rot. Bonds5

About 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol

3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol (PubChem CID 91613110) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol.

Molecular Properties

Compound Name3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol
PubChem CID91613110
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol
SMILESOc1cccc(CN(c2ccncn2)c2cccc(-c3cccnc3)n2)c1
InChIInChI=1S/C21H17N5O/c27-18-6-1-4-16(12-18)14-26(20-9-11-23-15-24-20)21-8-2-7-19(25-21)17-5-3-10-22-13-17/h1-13,15,27H,14H2
InChIKeyVOFINPIXUQXBOI-UHFFFAOYSA-N
XLogP3.98
TPSA75.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-Morpholin-4-yl-6-(pyridin-3-ylamino)pyrimidin-4-yl]phenol
CID 10405525
3-(2,4-Diaminopteridin-6-yl)phenol
CID 17751063
2-{4-[(Pyridin-3-ylmethyl)-amino]-quinazolin-2-yl}-phenol
CID 935994
5-fluoro-2-({[(3M)-3-(pyrimidin-4-yl)pyridin-2-yl]amino}methyl)phenol
CID 169452183
2-(1,8-Naphthyridin-2-yl)phenol
CID 2761113
3-[7-(3-Hydroxyphenyl)pteridin-6-yl]phenol
CID 17755300
4-[4-(4-Fluorophenyl)-2-pyrimidinyl]benzenol
CID 1479911
3-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenol
CID 9879653
3-(2-Morpholinopyrimidin-4-yl)phenol
CID 16049526
3-(2-morpholino-7-(pyridin-4-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888752
3-(2-morpholino-7-(pyridin-3-yl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)phenol
CID 24888918
3-[7-(2-Methyl-pyridin-4-yl)-2-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl]-phenol
CID 24889090

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol?
The IUPAC name of 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol (CID 91613110) is 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol.
What is the SMILES notation for 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol?
The canonical SMILES for 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol is Oc1cccc(CN(c2ccncn2)c2cccc(-c3cccnc3)n2)c1.
What is the InChIKey of 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol?
The InChIKey is VOFINPIXUQXBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c27-18-6-1-4-16(12-18)14-26(20-9-11-23-15-24-20)21-8-2-7-19(25-21)17-5-3-10-22-13-17/h1-13,15,27H,14H2.
What are the key properties of 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol?
3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol has a molecular weight of 355.40 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-pyridin-3-yl-2-pyridinyl)-pyrimidin-4-ylamino]methyl]phenol is sourced from PubChem (CID 91613110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).