4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine

C12H16ClN5O — CID 63220328

IUPAC4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2nc(Cl)c3cnn(C)c3n2)CCO1
InChIInChI=1S/C12H16ClN5O/c1-8-6-18(3-4-19-8)7-10-15-11(13)9-5-14-17(2)12(9)16-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyOXAARZQHPLVKDU-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.24
Rot. Bonds2

About 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine

4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine (PubChem CID 63220328) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
PubChem CID63220328
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine
SMILESCC1CN(Cc2nc(Cl)c3cnn(C)c3n2)CCO1
InChIInChI=1S/C12H16ClN5O/c1-8-6-18(3-4-19-8)7-10-15-11(13)9-5-14-17(2)12(9)16-10/h5,8H,3-4,6-7H2,1-2H3
InChIKeyOXAARZQHPLVKDU-UHFFFAOYSA-N
XLogP1.24
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2,6-dimethylmorpholine
CID 63220281
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
CID 63220595
1-methyl-6-[[(2R)-2-methylmorpholin-4-yl]methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136731455
6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 79927344
4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
CID 64679886
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
4-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-2-methylmorpholine
CID 80663756
4-[(2,4-dichloropyrimidin-5-yl)methyl]-2-methylmorpholine
CID 174210212
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
2-N,2-N-dimethyl-6-[(2-methylmorpholin-4-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 17451502

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine?
The IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine (CID 63220328) is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine.
What is the SMILES notation for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine?
The canonical SMILES for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine is CC1CN(Cc2nc(Cl)c3cnn(C)c3n2)CCO1.
What is the InChIKey of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine?
The InChIKey is OXAARZQHPLVKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-8-6-18(3-4-19-8)7-10-15-11(13)9-5-14-17(2)12(9)16-10/h5,8H,3-4,6-7H2,1-2H3.
What are the key properties of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine?
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine has a molecular weight of 281.75 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methylmorpholine is sourced from PubChem (CID 63220328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).