N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

C13H20ClN5O2 — CID 63220141

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C13H20ClN5O2/c1-18-13-10(8-15-18)12(14)16-11(17-13)9-19(4-6-20-2)5-7-21-3/h8H,4-7,9H2,1-3H3
InChIKeyHOBLDFXVFPAQME-UHFFFAOYSA-N
MW313.79 g/mol
LogP1.11
Rot. Bonds8

About N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (PubChem CID 63220141) has the molecular formula C13H20ClN5O2 and a molecular weight of 313.79 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
PubChem CID63220141
Molecular FormulaC13H20ClN5O2
Molecular Weight313.79 g/mol
Exact Mass313.13
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
SMILESCOCCN(CCOC)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C13H20ClN5O2/c1-18-13-10(8-15-18)12(14)16-11(17-13)9-19(4-6-20-2)5-7-21-3/h8H,4-7,9H2,1-3H3
InChIKeyHOBLDFXVFPAQME-UHFFFAOYSA-N
XLogP1.11
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.79
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine (CID 63220141) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is COCCN(CCOC)Cc1nc(Cl)c2cnn(C)c2n1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
The InChIKey is HOBLDFXVFPAQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5O2/c1-18-13-10(8-15-18)12(14)16-11(17-13)9-19(4-6-20-2)5-7-21-3/h8H,4-7,9H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine has a molecular weight of 313.79 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 63220141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).