2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol

C17H20N6O — CID 118139758

IUPAC2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol
SMILESCn1cc(Nc2nccc(-c3ccc(CN)c(CCO)c3)n2)cn1
InChIInChI=1S/C17H20N6O/c1-23-11-15(10-20-23)21-17-19-6-4-16(22-17)13-2-3-14(9-18)12(8-13)5-7-24/h2-4,6,8,10-11,24H,5,7,9,18H2,1H3,(H,19,21,22)
InChIKeyKKUZKXBATFOGQG-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.61
Rot. Bonds6

About 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol

2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol (PubChem CID 118139758) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol
PubChem CID118139758
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol
SMILESCn1cc(Nc2nccc(-c3ccc(CN)c(CCO)c3)n2)cn1
InChIInChI=1S/C17H20N6O/c1-23-11-15(10-20-23)21-17-19-6-4-16(22-17)13-2-3-14(9-18)12(8-13)5-7-24/h2-4,6,8,10-11,24H,5,7,9,18H2,1H3,(H,19,21,22)
InChIKeyKKUZKXBATFOGQG-UHFFFAOYSA-N
XLogP1.61
TPSA101.88 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-[(chloroamino)methyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 122650813
4-(2-hydrazinyl-4-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 118209525
[2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methoxycarbonylazanide;carbanide;cerium(4+)
CID 166003813
4-(6-amino-5-fluoro-3-pyridinyl)-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 151424564
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
[4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methylazanium
CID 163700476
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]propan-1-one
CID 158018205
1-(1-bicyclo[2.2.2]octanyl)-3-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]urea
CID 118139529
1-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 118139627
1-[8-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-1,3,4,5-tetrahydro-2-benzazepin-2-yl]propan-2-ol
CID 170148266
5-[4-(aminomethyl)-3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]phenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 141468743
[2-tert-butyl-4-[[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methylamino]methyl]-1,3-thiazol-5-yl]methanediol
CID 135294488

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol?
The IUPAC name of 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol (CID 118139758) is 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol.
What is the SMILES notation for 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol?
The canonical SMILES for 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol is Cn1cc(Nc2nccc(-c3ccc(CN)c(CCO)c3)n2)cn1.
What is the InChIKey of 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol?
The InChIKey is KKUZKXBATFOGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-23-11-15(10-20-23)21-17-19-6-4-16(22-17)13-2-3-14(9-18)12(8-13)5-7-24/h2-4,6,8,10-11,24H,5,7,9,18H2,1H3,(H,19,21,22).
What are the key properties of 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol?
2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol has a molecular weight of 324.39 g/mol, XLogP of 1.61, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-5-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethanol is sourced from PubChem (CID 118139758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).