3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol

C15H15N5O — CID 71906647

IUPAC3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1nccc(-n2cccn2)n1
InChIInChI=1S/C15H15N5O/c1-19(11-12-4-2-5-13(21)10-12)15-16-8-6-14(18-15)20-9-3-7-17-20/h2-10,21H,11H2,1H3
InChIKeySNHWILOHVKCRBA-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.00
Rot. Bonds4

About 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol

3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol (PubChem CID 71906647) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol.

Molecular Properties

Compound Name3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol
PubChem CID71906647
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol
SMILESCN(Cc1cccc(O)c1)c1nccc(-n2cccn2)n1
InChIInChI=1S/C15H15N5O/c1-19(11-12-4-2-5-13(21)10-12)15-16-8-6-14(18-15)20-9-3-7-17-20/h2-10,21H,11H2,1H3
InChIKeySNHWILOHVKCRBA-UHFFFAOYSA-N
XLogP2.00
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[2-[methyl-[(3-pyrazol-1-ylphenyl)methyl]amino]pyrimidin-4-yl]piperidin-3-ol
CID 97273821
3-[[(4-chloro-3-iodo-2-pyridinyl)-methylamino]methyl]phenol
CID 166376814
(2S)-N-[(3-hydroxyphenyl)methyl]-N-methyl-2-phenyl-2-pyrazol-1-ylacetamide
CID 94817737
3-[[(3-hydroxyphenyl)methyl-methylamino]methyl]phenol
CID 22070428
2-N-methyl-2-N-[(3-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 116796777
N-[(3-aminophenyl)methyl]-N,4-dimethylpyrimidin-2-amine
CID 55154379
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 161004059
2,6-di(pyrazol-1-yl)pyridine;ethane
CID 144724019
3-[[4-(6-pyrazol-1-ylpyrazin-2-yl)piperazin-1-yl]methyl]phenol
CID 84584722
N-benzyl-4-(4-benzylpiperazin-1-yl)-N-methylpyrimidin-2-amine
CID 112890975
2-N-[(3-fluorophenyl)methyl]-2-N,4-N,4-N-trimethylpyrimidine-2,4-diamine
CID 133382201
N-[2-(2,2,3,3,4,4,4-heptafluorobutoxy)prop-2-enyl]-N-methyl-4-pyrazol-1-ylpyrimidin-2-amine
CID 142164715

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol?
The IUPAC name of 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol (CID 71906647) is 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol.
What is the SMILES notation for 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol?
The canonical SMILES for 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol is CN(Cc1cccc(O)c1)c1nccc(-n2cccn2)n1.
What is the InChIKey of 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol?
The InChIKey is SNHWILOHVKCRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-19(11-12-4-2-5-13(21)10-12)15-16-8-6-14(18-15)20-9-3-7-17-20/h2-10,21H,11H2,1H3.
What are the key properties of 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol?
3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol has a molecular weight of 281.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(4-pyrazol-1-ylpyrimidin-2-yl)amino]methyl]phenol is sourced from PubChem (CID 71906647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).