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

C16H24N6O2 — CID 31658205

IUPAC1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)ncnc21
InChIInChI=1S/C16H24N6O2/c1-21-16-13(8-20-21)15(18-11-19-16)17-9-14(12-2-5-24-10-12)22-3-6-23-7-4-22/h8,11-12,14H,2-7,9-10H2,1H3,(H,17,18,19)/t12-,14-/m0/s1
InChIKeyHAMKESHSILXPBB-JSGCOSHPSA-N
MW332.41 g/mol
LogP0.51
Rot. Bonds5

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

1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 31658205) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID31658205
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)ncnc21
InChIInChI=1S/C16H24N6O2/c1-21-16-13(8-20-21)15(18-11-19-16)17-9-14(12-2-5-24-10-12)22-3-6-23-7-4-22/h8,11-12,14H,2-7,9-10H2,1H3,(H,17,18,19)/t12-,14-/m0/s1
InChIKeyHAMKESHSILXPBB-JSGCOSHPSA-N
XLogP0.51
TPSA77.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[(2R)-3-ethyl-2-morpholin-4-ylpentyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 25466411
N-[(2S)-2-[(3S)-oxolan-3-yl]-2-pyrrolidin-1-ylethyl]thieno[2,3-d]pyrimidin-4-amine
CID 94811571
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
N-[[(2R)-1,4-dioxan-2-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 93423961
1-methyl-N-(4-methyl-2-pyrrolidin-1-ylpentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 42886101
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
1,5-dimethyl-N-[(2S)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021725
1,5-dimethyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazole-4-carboxamide
CID 94021723
5-(4-fluorophenyl)-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 42941769
3-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-5-nitropyridin-2-amine
CID 94824919
3-methyl-N-[2-morpholin-4-yl-2-(oxolan-3-yl)ethyl]-5-nitroimidazol-4-amine
CID 42943744
N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-1,6-naphthyridin-4-amine
CID 95973156

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine (CID 31658205) is 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NC[C@@H]([C@H]3CCOC3)N3CCOCC3)ncnc21.
What is the InChIKey of 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HAMKESHSILXPBB-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H24N6O2/c1-21-16-13(8-20-21)15(18-11-19-16)17-9-14(12-2-5-24-10-12)22-3-6-23-7-4-22/h8,11-12,14H,2-7,9-10H2,1H3,(H,17,18,19)/t12-,14-/m0/s1.
What are the key properties of 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine?
1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 31658205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).