N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine

C13H20ClN5 — CID 63982727

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C13H20ClN5/c1-6-13(2,3)18(4)8-10-16-11(14)9-7-15-19(5)12(9)17-10/h7H,6,8H2,1-5H3
InChIKeyRYELDMHGGKPUSW-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.64
Rot. Bonds4

About N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine (PubChem CID 63982727) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine
PubChem CID63982727
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine
SMILESCCC(C)(C)N(C)Cc1nc(Cl)c2cnn(C)c2n1
InChIInChI=1S/C13H20ClN5/c1-6-13(2,3)18(4)8-10-16-11(14)9-7-15-19(5)12(9)17-10/h7H,6,8H2,1-5H3
InChIKeyRYELDMHGGKPUSW-UHFFFAOYSA-N
XLogP2.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]butan-1-amine
CID 63220644
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 63220335
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-2-methoxy-N-(2-methoxyethyl)ethanamine
CID 63220141
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 63632297
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-propylcyclopropanamine
CID 55163508
5-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-methylamino]pentan-1-ol
CID 107198979
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine
CID 107398249
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 63220285
2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol
CID 102861442
6-(benzylsulfanylmethyl)-4-chloro-1-methylpyrazolo[5,4-d]pyrimidine
CID 63221171
4-chloro-1-methyl-6-(pentoxymethyl)pyrazolo[5,4-d]pyrimidine
CID 63220809
4-chloro-6-[(2-chlorophenyl)methylsulfanylmethyl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 103288170

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine (CID 63982727) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine is CCC(C)(C)N(C)Cc1nc(Cl)c2cnn(C)c2n1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine?
The InChIKey is RYELDMHGGKPUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN5/c1-6-13(2,3)18(4)8-10-16-11(14)9-7-15-19(5)12(9)17-10/h7H,6,8H2,1-5H3.
What are the key properties of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine has a molecular weight of 281.79 g/mol, XLogP of 2.64, 4 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,2-dimethylbutan-2-amine is sourced from PubChem (CID 63982727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).