[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol

C22H23N3O — CID 127024434

IUPAC[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(CO)c2)n1
InChIInChI=1S/C22H23N3O/c1-15-23-21(18-9-4-6-16(12-18)14-26)13-22(24-15)25-20-11-5-8-17-7-2-3-10-19(17)20/h2-4,6-7,9-10,12-13,20,26H,5,8,11,14H2,1H3,(H,23,24,25)/t20-/m1/s1
InChIKeyTUDRFNVGGZJOAG-HXUWFJFHSA-N
MW345.45 g/mol
LogP4.43
Rot. Bonds4

About [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol

[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol (PubChem CID 127024434) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol.

Molecular Properties

Compound Name[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol
PubChem CID127024434
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol
SMILESCc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(CO)c2)n1
InChIInChI=1S/C22H23N3O/c1-15-23-21(18-9-4-6-16(12-18)14-26)13-22(24-15)25-20-11-5-8-17-7-2-3-10-19(17)20/h2-4,6-7,9-10,12-13,20,26H,5,8,11,14H2,1H3,(H,23,24,25)/t20-/m1/s1
InChIKeyTUDRFNVGGZJOAG-HXUWFJFHSA-N
XLogP4.43
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol with MolForge

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Related Compounds

1-[4-({[4-(2,4-Diamino-6-ethylpyrimidin-5-yl)phenyl]amino}methyl)phenyl]ethan-1-ol
CID 11523411
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
2-[[6-(3,4-Dimethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918546
2-[[6-(4-Ethylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918569
2-[[6-(4-Tert-butylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918619
1-Phenyl-2-[[6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 70963358
[2-Amino-4-(butylamino)quinazolin-6-yl]methanol
CID 71041868
(1R)-2-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 76310795
(3-(6-((3R,4S)-3-amino-4-(2,4,5-trifluorophenyl)pyrrolidin-1-yl)pyrimidin-4-yl)phenyl)methanol
CID 44433233
4-[[[4-(Benzylamino)-6-[3-(hydroxymethyl)phenyl]pyrimidin-2-yl]amino]methyl]cyclohexane-1-carboxamide
CID 118724804
2-[[6-(3-Methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44204529
1-[2-Amino-4-(butylamino)quinazolin-6-yl]ethanol
CID 71470317

Frequently Asked Questions

What is the IUPAC name of [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol?
The IUPAC name of [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol (CID 127024434) is [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol.
What is the SMILES notation for [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol?
The canonical SMILES for [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol is Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cccc(CO)c2)n1.
What is the InChIKey of [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol?
The InChIKey is TUDRFNVGGZJOAG-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-23-21(18-9-4-6-16(12-18)14-26)13-22(24-15)25-20-11-5-8-17-7-2-3-10-19(17)20/h2-4,6-7,9-10,12-13,20,26H,5,8,11,14H2,1H3,(H,23,24,25)/t20-/m1/s1.
What are the key properties of [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol?
[3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol has a molecular weight of 345.45 g/mol, XLogP of 4.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-methyl-6-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]pyrimidin-4-yl]phenyl]methanol is sourced from PubChem (CID 127024434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).