4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine

C13H19ClN6 — CID 63220594

IUPAC4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESCN1CCCN(Cc2nc(Cl)c3cnn(C)c3n2)CC1
InChIInChI=1S/C13H19ClN6/c1-18-4-3-5-20(7-6-18)9-11-16-12(14)10-8-15-19(2)13(10)17-11/h8H,3-7,9H2,1-2H3
InChIKeyGDFCZFMWPKHAAG-UHFFFAOYSA-N
MW294.79 g/mol
LogP1.15
Rot. Bonds2

About 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine

4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine (PubChem CID 63220594) has the molecular formula C13H19ClN6 and a molecular weight of 294.79 g/mol. Its IUPAC name is 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
PubChem CID63220594
Molecular FormulaC13H19ClN6
Molecular Weight294.79 g/mol
Exact Mass294.14
IUPAC Name4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
SMILESCN1CCCN(Cc2nc(Cl)c3cnn(C)c3n2)CC1
InChIInChI=1S/C13H19ClN6/c1-18-4-3-5-20(7-6-18)9-11-16-12(14)10-8-15-19(2)13(10)17-11/h8H,3-7,9H2,1-2H3
InChIKeyGDFCZFMWPKHAAG-UHFFFAOYSA-N
XLogP1.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,1-dimethyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220746
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]thiomorpholine
CID 63220595
4-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-methylpiperazin-2-one
CID 64679886
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
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
N-ethyl-1-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220147
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
N-ethyl-1-methyl-6-(pyrrolidin-1-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220563
8-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63763435
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 63632297

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine (CID 63220594) is 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine is CN1CCCN(Cc2nc(Cl)c3cnn(C)c3n2)CC1.
What is the InChIKey of 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine?
The InChIKey is GDFCZFMWPKHAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN6/c1-18-4-3-5-20(7-6-18)9-11-16-12(14)10-8-15-19(2)13(10)17-11/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine?
4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine has a molecular weight of 294.79 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 63220594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).