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

C14H20ClN5 — CID 63632297

IUPACN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1nc(Cl)c2cnn(C)c2n1)CC1CCCC1
InChIInChI=1S/C14H20ClN5/c1-19(8-10-5-3-4-6-10)9-12-17-13(15)11-7-16-20(2)14(11)18-12/h7,10H,3-6,8-9H2,1-2H3
InChIKeyAITTXJWVXYFRJC-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.64
Rot. Bonds4

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

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine (PubChem CID 63632297) 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]-1-cyclopentyl-N-methylmethanamine.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
PubChem CID63632297
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine
SMILESCN(Cc1nc(Cl)c2cnn(C)c2n1)CC1CCCC1
InChIInChI=1S/C14H20ClN5/c1-19(8-10-5-3-4-6-10)9-12-17-13(15)11-7-16-20(2)14(11)18-12/h7,10H,3-6,8-9H2,1-2H3
InChIKeyAITTXJWVXYFRJC-UHFFFAOYSA-N
XLogP2.64
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N-(cyclobutylmethyl)ethanamine
CID 107398249
6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220714
6-[[cyclopropylmethyl(methyl)amino]methyl]-N-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220753
2-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl-cyclobutylamino]ethanol
CID 102861442
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-methyl-1-thiophen-2-ylmethanamine
CID 63220285
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-N,2-dimethylbutan-2-amine
CID 63982727
4-chloro-1-methyl-6-[(4-methyl-1,4-diazepan-1-yl)methyl]pyrazolo[5,4-d]pyrimidine
CID 63220594
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The IUPAC name of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine (CID 63632297) is N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The canonical SMILES for N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine is CN(Cc1nc(Cl)c2cnn(C)c2n1)CC1CCCC1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine?
The InChIKey is AITTXJWVXYFRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-19(8-10-5-3-4-6-10)9-12-17-13(15)11-7-16-20(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]-1-cyclopentyl-N-methylmethanamine?
N-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]-1-cyclopentyl-N-methylmethanamine has a molecular weight of 293.80 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]-1-cyclopentyl-N-methylmethanamine is sourced from PubChem (CID 63632297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).