4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol

C16H18N6O — CID 117084853

IUPAC4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
SMILESCn1nccc1Nc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C16H18N6O/c1-22-16(7-9-20-22)21-15-10-14(18-11-19-15)17-8-6-12-2-4-13(23)5-3-12/h2-5,7,9-11,23H,6,8H2,1H3,(H2,17,18,19,21)
InChIKeyVJSKHEMORGPICV-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.31
Rot. Bonds6

About 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol

4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol (PubChem CID 117084853) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol.

Molecular Properties

Compound Name4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
PubChem CID117084853
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol
SMILESCn1nccc1Nc1cc(NCCc2ccc(O)cc2)ncn1
InChIInChI=1S/C16H18N6O/c1-22-16(7-9-20-22)21-15-10-14(18-11-19-15)17-8-6-12-2-4-13(23)5-3-12/h2-5,7,9-11,23H,6,8H2,1H3,(H2,17,18,19,21)
InChIKeyVJSKHEMORGPICV-UHFFFAOYSA-N
XLogP2.31
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol with MolForge

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Related Compounds

N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
CID 117085212
4-[2-[[6-(ethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80797368
4-[2-[[8-[(2-methylpyrazol-3-yl)amino]-7H-purin-6-yl]amino]ethyl]phenol
CID 117092853
4-[2-[(6-methoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66326603
4-[2-[(6-ethoxypyrimidin-4-yl)amino]ethyl]phenol
CID 66330560
4-[2-[[6-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117083977
4-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]phenol
CID 154745147
6-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-4-amine
CID 113442450
N-[2-(2-methylpyrazol-3-yl)ethyl]-6-propan-2-ylpyrimidin-4-amine
CID 104696057
4-[2-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776341
4-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]phenol
CID 80797730
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol?
The IUPAC name of 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol (CID 117084853) is 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol.
What is the SMILES notation for 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol?
The canonical SMILES for 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol is Cn1nccc1Nc1cc(NCCc2ccc(O)cc2)ncn1.
What is the InChIKey of 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol?
The InChIKey is VJSKHEMORGPICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-22-16(7-9-20-22)21-15-10-14(18-11-19-15)17-8-6-12-2-4-13(23)5-3-12/h2-5,7,9-11,23H,6,8H2,1H3,(H2,17,18,19,21).
What are the key properties of 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol?
4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol has a molecular weight of 310.36 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[6-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]amino]ethyl]phenol is sourced from PubChem (CID 117084853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).