6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C12H17ClN6O — CID 58345954

IUPAC6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCN3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C12H17ClN6O/c1-18-11-9(8-15-18)10(16-12(13)17-11)14-2-3-19-4-6-20-7-5-19/h8H,2-7H2,1H3,(H,14,16,17)
InChIKeyCWFSGXVXAGWWQR-UHFFFAOYSA-N
MW296.76 g/mol
LogP0.76
Rot. Bonds4

About 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine

6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 58345954) has the molecular formula C12H17ClN6O and a molecular weight of 296.76 g/mol. Its IUPAC name is 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID58345954
Molecular FormulaC12H17ClN6O
Molecular Weight296.76 g/mol
Exact Mass296.12
IUPAC Name6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCn1ncc2c(NCCN3CCOCC3)nc(Cl)nc21
InChIInChI=1S/C12H17ClN6O/c1-18-11-9(8-15-18)10(16-12(13)17-11)14-2-3-19-4-6-20-7-5-19/h8H,2-7H2,1H3,(H,14,16,17)
InChIKeyCWFSGXVXAGWWQR-UHFFFAOYSA-N
XLogP0.76
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 56883329
1-methyl-6-(morpholin-4-ylmethyl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220654
6-chloro-N-hexyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460054
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
6-chloro-N-(3-imidazol-1-ylpropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460088
4-N-(3-chlorophenyl)-1-methyl-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 20959289
2,6-dichloro-4-N,7-N-bis(2-morpholin-4-ylethyl)pteridine-4,7-diamine
CID 118892550
2-chloro-N-(3-morpholin-4-ylpropyl)quinazolin-4-amine
CID 22692931
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 46345391
4-chloro-6-methyl-N-(2-morpholin-4-ylethyl)-1,3,5-triazin-2-amine
CID 143985982
1-methyl-4-N-(4-methylphenyl)-6-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 50795124
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 58345954) is 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Cn1ncc2c(NCCN3CCOCC3)nc(Cl)nc21.
What is the InChIKey of 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CWFSGXVXAGWWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN6O/c1-18-11-9(8-15-18)10(16-12(13)17-11)14-2-3-19-4-6-20-7-5-19/h8H,2-7H2,1H3,(H,14,16,17).
What are the key properties of 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 296.76 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-methyl-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 58345954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).