5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine

C15H17ClN8 — CID 163344597

IUPAC5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C15H17ClN8/c1-23(15-17-6-10(16)7-18-15)11-2-4-24(5-3-11)14-12-8-21-22-13(12)19-9-20-14/h6-9,11H,2-5H2,1H3,(H,19,20,21,22)
InChIKeyDFMCNYCXMXUYSB-UHFFFAOYSA-N
MW344.81 g/mol
LogP1.90
Rot. Bonds3

About 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine

5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine (PubChem CID 163344597) has the molecular formula C15H17ClN8 and a molecular weight of 344.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
PubChem CID163344597
Molecular FormulaC15H17ClN8
Molecular Weight344.81 g/mol
Exact Mass344.13
IUPAC Name5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
SMILESCN(c1ncc(Cl)cn1)C1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C15H17ClN8/c1-23(15-17-6-10(16)7-18-15)11-2-4-24(5-3-11)14-12-8-21-22-13(12)19-9-20-14/h6-9,11H,2-5H2,1H3,(H,19,20,21,22)
InChIKeyDFMCNYCXMXUYSB-UHFFFAOYSA-N
XLogP1.90
TPSA86.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.81
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
CID 178107069
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-methoxy-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]pyrimidin-2-amine
CID 171998183
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
CID 171691306
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028
N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904318
5-chloro-N-methyl-N-(1-pyrazin-2-ylpiperidin-4-yl)pyrimidin-2-amine
CID 155942328

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine (CID 163344597) is 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine is CN(c1ncc(Cl)cn1)C1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
The InChIKey is DFMCNYCXMXUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN8/c1-23(15-17-6-10(16)7-18-15)11-2-4-24(5-3-11)14-12-8-21-22-13(12)19-9-20-14/h6-9,11H,2-5H2,1H3,(H,19,20,21,22).
What are the key properties of 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine?
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine has a molecular weight of 344.81 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 163344597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).