2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol

C17H24N6O — CID 135305239

IUPAC2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol
SMILESCNC1CN(c2cc(CNCC(O)c3ccccc3)nc(N)n2)C1
InChIInChI=1S/C17H24N6O/c1-19-14-10-23(11-14)16-7-13(21-17(18)22-16)8-20-9-15(24)12-5-3-2-4-6-12/h2-7,14-15,19-20,24H,8-11H2,1H3,(H2,18,21,22)
InChIKeyOLMZBXIIUHBAHR-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.29
Rot. Bonds7

About 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol

2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol (PubChem CID 135305239) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol.

Molecular Properties

Compound Name2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol
PubChem CID135305239
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol
SMILESCNC1CN(c2cc(CNCC(O)c3ccccc3)nc(N)n2)C1
InChIInChI=1S/C17H24N6O/c1-19-14-10-23(11-14)16-7-13(21-17(18)22-16)8-20-9-15(24)12-5-3-2-4-6-12/h2-7,14-15,19-20,24H,8-11H2,1H3,(H2,18,21,22)
InChIKeyOLMZBXIIUHBAHR-UHFFFAOYSA-N
XLogP0.29
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol 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
(4R,9aR)-6-(1-(S)-Hydroxy-ethyl)-4-methyl-3,4,9,9a-tetrahydro-1H-2,4a,5-triaza-fluorene
CID 21044398
1-(3-Fluorophenyl)-2-[[2-(4-methylanilino)pyrimidin-4-yl]amino]ethanol
CID 24824393
(1R)-1-phenyl-2-[[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 44204624
(1R)-1-phenyl-2-[[6-(4-propan-2-ylphenyl)pyrimidin-4-yl]amino]ethanol
CID 44204626
(1R)-2-[[6-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidin-4-yl]amino]-1-phenylethanol
CID 57918507
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
(1R)-2-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 76310795
2-[[2-[3-(4-Methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 24822683

Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol?
The IUPAC name of 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol (CID 135305239) is 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol.
What is the SMILES notation for 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol?
The canonical SMILES for 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol is CNC1CN(c2cc(CNCC(O)c3ccccc3)nc(N)n2)C1.
What is the InChIKey of 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol?
The InChIKey is OLMZBXIIUHBAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-19-14-10-23(11-14)16-7-13(21-17(18)22-16)8-20-9-15(24)12-5-3-2-4-6-12/h2-7,14-15,19-20,24H,8-11H2,1H3,(H2,18,21,22).
What are the key properties of 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol?
2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol has a molecular weight of 328.42 g/mol, XLogP of 0.29, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol is sourced from PubChem (CID 135305239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).