1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine

C18H22N6O — CID 25316013

IUPAC1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N[C@@H](CN3CCOCC3)c3ccccc3)ncnc21
InChIInChI=1S/C18H22N6O/c1-23-18-15(11-21-23)17(19-13-20-18)22-16(14-5-3-2-4-6-14)12-24-7-9-25-10-8-24/h2-6,11,13,16H,7-10,12H2,1H3,(H,19,20,22)/t16-/m0/s1
InChIKeySXKPGERTPZFGME-INIZCTEOSA-N
MW338.42 g/mol
LogP1.85
Rot. Bonds5

About 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine

1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 25316013) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID25316013
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(N[C@@H](CN3CCOCC3)c3ccccc3)ncnc21
InChIInChI=1S/C18H22N6O/c1-23-18-15(11-21-23)17(19-13-20-18)22-16(14-5-3-2-4-6-14)12-24-7-9-25-10-8-24/h2-6,11,13,16H,7-10,12H2,1H3,(H,19,20,22)/t16-/m0/s1
InChIKeySXKPGERTPZFGME-INIZCTEOSA-N
XLogP1.85
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]quinazolin-4-amine
CID 24508581
5-methyl-N-(2-morpholin-4-yl-1-phenylethyl)pyrimidin-2-amine
CID 138994630
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
N-[1-benzofuran-2-yl(phenyl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 42889550
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 154858031
N-[(1R)-1-phenyl-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 36725383
N-(2-morpholin-4-ylethyl)-1-phenyl-2-piperidin-1-ylethanamine
CID 51000971
N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25466411
1-methyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 43088482
1-methyl-N-[1-(2-methylphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 42889435
2-N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,2-diamine
CID 63730898

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 25316013) is 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(N[C@@H](CN3CCOCC3)c3ccccc3)ncnc21.
What is the InChIKey of 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is SXKPGERTPZFGME-INIZCTEOSA-N. The full InChI is InChI=1S/C18H22N6O/c1-23-18-15(11-21-23)17(19-13-20-18)22-16(14-5-3-2-4-6-14)12-24-7-9-25-10-8-24/h2-6,11,13,16H,7-10,12H2,1H3,(H,19,20,22)/t16-/m0/s1.
What are the key properties of 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 338.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R)-2-morpholin-4-yl-1-phenylethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 25316013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).