6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H22N6O — CID 95271681

IUPAC6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC[C@H]2CN(C)CCO2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H22N6O/c1-13-21-17(19-10-15-12-23(2)8-9-25-15)16-11-20-24(18(16)22-13)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12H2,1-2H3,(H,19,21,22)/t15-/m0/s1
InChIKeyJYWBDLBLURBUGL-HNNXBMFYSA-N
MW338.42 g/mol
LogP1.87
Rot. Bonds4

About 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine

6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 95271681) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID95271681
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(NC[C@H]2CN(C)CCO2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H22N6O/c1-13-21-17(19-10-15-12-23(2)8-9-25-15)16-11-20-24(18(16)22-13)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12H2,1-2H3,(H,19,21,22)/t15-/m0/s1
InChIKeyJYWBDLBLURBUGL-HNNXBMFYSA-N
XLogP1.87
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[(4-methylmorpholin-2-yl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204381
1-(4-methylmorpholin-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 78942793
N-[1-(4-methylmorpholin-2-yl)ethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 133386569
4,6-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]pyrimidin-2-amine
CID 78952498
6-methyl-N-(1-morpholin-2-ylethyl)-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 167910918
N-[(4-methylmorpholin-2-yl)methyl]-3-phenylprop-2-yn-1-amine
CID 79071101
1-tert-butyl-6-[(4-methylmorpholin-2-yl)methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137264504
1-phenyl-6-[[(2R)-4-(1,3,4-thiadiazol-2-yl)morpholin-2-yl]methylamino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136890813
4-N-(4-methoxyphenyl)-6-N-[[(2S)-oxolan-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 27443533
2-N-[(4-methylmorpholin-2-yl)methyl]pyridine-2,3-diamine
CID 79082098
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
CID 2380610
5-fluoro-N-[[(2S)-4-methylmorpholin-2-yl]methyl]pyrimidin-2-amine
CID 124594370

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 95271681) is 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(NC[C@H]2CN(C)CCO2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is JYWBDLBLURBUGL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-21-17(19-10-15-12-23(2)8-9-25-15)16-11-20-24(18(16)22-13)14-6-4-3-5-7-14/h3-7,11,15H,8-10,12H2,1-2H3,(H,19,21,22)/t15-/m0/s1.
What are the key properties of 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[[(2S)-4-methylmorpholin-2-yl]methyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 95271681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).