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

C14H20ClN5 — CID 107398249

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine
SMILESCCN(Cc1nc(Cl)c2cnn(C)c2n1)CC1CCC1
InChIInChI=1S/C14H20ClN5/c1-3-20(8-10-5-4-6-10)9-12-17-13(15)11-7-16-19(2)14(11)18-12/h7,10H,3-6,8-9H2,1-2H3
InChIKeyTXGLEDFQZOJSQO-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.64
Rot. Bonds5

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

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine (PubChem CID 107398249) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine
PubChem CID107398249
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine
SMILESCCN(Cc1nc(Cl)c2cnn(C)c2n1)CC1CCC1
InChIInChI=1S/C14H20ClN5/c1-3-20(8-10-5-4-6-10)9-12-17-13(15)11-7-16-19(2)14(11)18-12/h7,10H,3-6,8-9H2,1-2H3
InChIKeyTXGLEDFQZOJSQO-UHFFFAOYSA-N
XLogP2.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-N-(cyclobutylmethyl)ethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine (CID 107398249) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine is CCN(Cc1nc(Cl)c2cnn(C)c2n1)CC1CCC1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine?
The InChIKey is TXGLEDFQZOJSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-3-20(8-10-5-4-6-10)9-12-17-13(15)11-7-16-19(2)14(11)18-12/h7,10H,3-6,8-9H2,1-2H3.
What are the key properties of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine is sourced from PubChem (CID 107398249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).