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

C11H14ClN5S — CID 63220595

IUPAC4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
SMILESCn1ncc2c(Cl)nc(CN3CCSCC3)nc21
InChIInChI=1S/C11H14ClN5S/c1-16-11-8(6-13-16)10(12)14-9(15-11)7-17-2-4-18-5-3-17/h6H,2-5,7H2,1H3
InChIKeyWSJQZYLEIVZJJU-UHFFFAOYSA-N
MW283.79 g/mol
LogP1.57
Rot. Bonds2

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

4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine (PubChem CID 63220595) has the molecular formula C11H14ClN5S and a molecular weight of 283.79 g/mol. Its IUPAC name is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
PubChem CID63220595
Molecular FormulaC11H14ClN5S
Molecular Weight283.79 g/mol
Exact Mass283.07
IUPAC Name4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
SMILESCn1ncc2c(Cl)nc(CN3CCSCC3)nc21
InChIInChI=1S/C11H14ClN5S/c1-16-11-8(6-13-16)10(12)14-9(15-11)7-17-2-4-18-5-3-17/h6H,2-5,7H2,1H3
InChIKeyWSJQZYLEIVZJJU-UHFFFAOYSA-N
XLogP1.57
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.79
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
1-methyl-6-(1,4-thiazepan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221217
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
CID 64679886
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]-2-methylmorpholine
CID 63220328
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-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-1,4-oxazepane
CID 63220480
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
4-chloro-1-methyl-6-(1,2,4-triazol-1-ylmethyl)pyrazolo[5,4-d]pyrimidine
CID 63220436
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-3-methylpyridin-2-one
CID 63220626
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine?
The IUPAC name of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine (CID 63220595) is 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine?
The canonical SMILES for 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine is Cn1ncc2c(Cl)nc(CN3CCSCC3)nc21.
What is the InChIKey of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine?
The InChIKey is WSJQZYLEIVZJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5S/c1-16-11-8(6-13-16)10(12)14-9(15-11)7-17-2-4-18-5-3-17/h6H,2-5,7H2,1H3.
What are the key properties of 4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine?
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine has a molecular weight of 283.79 g/mol, XLogP of 1.57, 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]thiomorpholine is sourced from PubChem (CID 63220595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).