1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

C19H24N6 — CID 7216392

IUPAC1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(CNc2nc(N3CCCCC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C19H24N6/c1-14-6-8-15(9-7-14)12-20-19-22-17-16(13-21-24(17)2)18(23-19)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,22,23)
InChIKeyGJRDNGOSWAENQI-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.27
Rot. Bonds4

About 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine

1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 7216392) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID7216392
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
SMILESCc1ccc(CNc2nc(N3CCCCC3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C19H24N6/c1-14-6-8-15(9-7-14)12-20-19-22-17-16(13-21-24(17)2)18(23-19)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,22,23)
InChIKeyGJRDNGOSWAENQI-UHFFFAOYSA-N
XLogP3.27
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 50795389
4-N-benzyl-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 7216335
1-methyl-N-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 7162562
N'-(1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)-1-phenylethane-1,2-diamine
CID 155413689
1-(4-methylphenyl)-N-(4-methylpiperazin-1-yl)-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 71687844
4-N-[2-(4-fluorophenyl)ethyl]-1-methyl-6-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 166397978
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
N-(3-chloro-4-methoxyphenyl)-1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8547962
6-N-[2-[ethyl(propyl)amino]ethyl]-1-methyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 143765775
6-N,6-N,1-trimethyl-4-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidine-4,6-diamine;hydrochloride
CID 146059619
1-methyl-4-morpholin-4-yl-N-(3-morpholin-4-ylpropyl)pyrazolo[5,4-d]pyrimidin-6-amine
CID 46345391
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine (CID 7216392) is 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is Cc1ccc(CNc2nc(N3CCCCC3)c3cnn(C)c3n2)cc1.
What is the InChIKey of 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is GJRDNGOSWAENQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-14-6-8-15(9-7-14)12-20-19-22-17-16(13-21-24(17)2)18(23-19)25-10-4-3-5-11-25/h6-9,13H,3-5,10-12H2,1-2H3,(H,20,22,23).
What are the key properties of 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine?
1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 336.44 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylphenyl)methyl]-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 7216392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).