4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol

C19H20N4O2 — CID 133349530

IUPAC4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCc1nc(-c2ccncc2)nc(NCCc2ccc(O)c(O)c2)c1C
InChIInChI=1S/C19H20N4O2/c1-12-13(2)22-19(15-6-8-20-9-7-15)23-18(12)21-10-5-14-3-4-16(24)17(25)11-14/h3-4,6-9,11,24-25H,5,10H2,1-2H3,(H,21,22,23)
InChIKeyWQMIQGHJHNJQEV-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.22
Rot. Bonds5

About 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol

4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol (PubChem CID 133349530) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
PubChem CID133349530
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol
SMILESCc1nc(-c2ccncc2)nc(NCCc2ccc(O)c(O)c2)c1C
InChIInChI=1S/C19H20N4O2/c1-12-13(2)22-19(15-6-8-20-9-7-15)23-18(12)21-10-5-14-3-4-16(24)17(25)11-14/h3-4,6-9,11,24-25H,5,10H2,1-2H3,(H,21,22,23)
InChIKeyWQMIQGHJHNJQEV-UHFFFAOYSA-N
XLogP3.22
TPSA91.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

5,6-dimethyl-N-(4-methylsulfanylbutyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 133316495
5,6-dimethyl-2-pyridin-4-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidin-4-amine
CID 133415480
5,6-dimethyl-2-pyridin-4-yl-N-[2-(triazol-1-yl)ethyl]pyrimidin-4-amine
CID 133449348
4-[2-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]ethyl]benzene-1,2-diol
CID 133461658
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
CID 56768152
3-[2-[(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 133305899
5-iodo-6-methyl-N-propyl-2-pyridin-4-ylpyrimidin-4-amine
CID 66307120
5,6-dimethyl-N-[[1-(methylsulfonylmethyl)cyclopropyl]methyl]-2-pyridin-4-ylpyrimidin-4-amine
CID 133344239
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5,6-dimethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460065
6-methyl-N-(2-phenylethyl)-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460517
N-[(1-methoxycyclobutyl)methyl]-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133460026
N-(1,4-diazabicyclo[2.2.2]octan-2-ylmethyl)-5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-amine
CID 133399802

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol?
The IUPAC name of 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol (CID 133349530) is 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol?
The canonical SMILES for 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol is Cc1nc(-c2ccncc2)nc(NCCc2ccc(O)c(O)c2)c1C.
What is the InChIKey of 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol?
The InChIKey is WQMIQGHJHNJQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-13(2)22-19(15-6-8-20-9-7-15)23-18(12)21-10-5-14-3-4-16(24)17(25)11-14/h3-4,6-9,11,24-25H,5,10H2,1-2H3,(H,21,22,23).
What are the key properties of 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol?
4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol has a molecular weight of 336.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)amino]ethyl]benzene-1,2-diol is sourced from PubChem (CID 133349530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).