N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

C15H22N6O3 — CID 20959294

IUPACN-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCOCC3)nc(NCC3COCCO3)nc21
InChIInChI=1S/C15H22N6O3/c1-20-13-12(9-17-20)14(21-2-4-22-5-3-21)19-15(18-13)16-8-11-10-23-6-7-24-11/h9,11H,2-8,10H2,1H3,(H,16,18,19)
InChIKeyNBWDYIDZARSFHL-UHFFFAOYSA-N
MW334.38 g/mol
LogP0.03
Rot. Bonds4

About N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine

N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 20959294) has the molecular formula C15H22N6O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID20959294
Molecular FormulaC15H22N6O3
Molecular Weight334.38 g/mol
Exact Mass334.18
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCn1ncc2c(N3CCOCC3)nc(NCC3COCCO3)nc21
InChIInChI=1S/C15H22N6O3/c1-20-13-12(9-17-20)14(21-2-4-22-5-3-21)19-15(18-13)16-8-11-10-23-6-7-24-11/h9,11H,2-8,10H2,1H3,(H,16,18,19)
InChIKeyNBWDYIDZARSFHL-UHFFFAOYSA-N
XLogP0.03
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine with MolForge

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Related Compounds

N-(2,2-dimethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197187
4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 653309
2,2-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-yl]propanamide
CID 71223493
N-(2,2-diethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197189
3-[(1-Methyl-4-piperidylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol
CID 7216388
N-(2-methoxyethyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7216390
2-[(6-Chloro-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 227483
2-((1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol
CID 219784
Ethyl 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]acetate
CID 4970615
2-[(1-Tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 127035703
1-(1-(2-(1,4-oxazepan-4-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-propylurea
CID 71223014
2-((4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 227488

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 20959294) is N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cn1ncc2c(N3CCOCC3)nc(NCC3COCCO3)nc21.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is NBWDYIDZARSFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3/c1-20-13-12(9-17-20)14(21-2-4-22-5-3-21)19-15(18-13)16-8-11-10-23-6-7-24-11/h9,11H,2-8,10H2,1H3,(H,16,18,19).
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine?
N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 334.38 g/mol, XLogP of 0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-1-methyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 20959294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).