(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

C18H21N5O — CID 2380610

IUPAC(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCc1nc(N2C[C@H](C)O[C@@H](C)C2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H21N5O/c1-12-10-22(11-13(2)24-12)17-16-9-19-23(15-7-5-4-6-8-15)18(16)21-14(3)20-17/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyAEUBEPOKXGUVLK-STQMWFEESA-N
MW323.40 g/mol
LogP2.74
Rot. Bonds2

About (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine

(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (PubChem CID 2380610) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
PubChem CID2380610
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine
SMILESCc1nc(N2C[C@H](C)O[C@@H](C)C2)c2cnn(-c3ccccc3)c2n1
InChIInChI=1S/C18H21N5O/c1-12-10-22(11-13(2)24-12)17-16-9-19-23(15-7-5-4-6-8-15)18(16)21-14(3)20-17/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m0/s1
InChIKeyAEUBEPOKXGUVLK-STQMWFEESA-N
XLogP2.74
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine with MolForge

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Related Compounds

cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
(2S,6R)-4-[1-(4-methoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866557
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 42671817
(2R,6R)-4-[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 866543
(2S,6S)-4-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-2,6-dimethylmorpholine
CID 7205606
1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 42675631
2-methyl-1-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)-1,4-diazepan-1-yl]propan-1-one
CID 42675626
4-(3,5-dimethylpiperidin-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 3756032
3-[4-(2-methylmorpholin-4-yl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-yl]phenol
CID 59807386
4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 42670657
4-butyl-6-methyl-1-phenylpyrazolo[3,4-d]pyrimidine
CID 71577988
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42805374

Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The IUPAC name of (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine (CID 2380610) is (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine.
What is the SMILES notation for (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The canonical SMILES for (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is Cc1nc(N2C[C@H](C)O[C@@H](C)C2)c2cnn(-c3ccccc3)c2n1.
What is the InChIKey of (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
The InChIKey is AEUBEPOKXGUVLK-STQMWFEESA-N. The full InChI is InChI=1S/C18H21N5O/c1-12-10-22(11-13(2)24-12)17-16-9-19-23(15-7-5-4-6-8-15)18(16)21-14(3)20-17/h4-9,12-13H,10-11H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine?
(2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine has a molecular weight of 323.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2,6-dimethyl-4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)morpholine is sourced from PubChem (CID 2380610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).