N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine

C18H23N7 — CID 118739975

IUPACN,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(C2CCCCN2Cc2cnn3cccnc23)n1
InChIInChI=1S/C18H23N7/c1-23(2)18-20-9-7-15(22-18)16-6-3-4-10-24(16)13-14-12-21-25-11-5-8-19-17(14)25/h5,7-9,11-12,16H,3-4,6,10,13H2,1-2H3
InChIKeyDCLBUHZLDDBKJD-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.31
Rot. Bonds4

About N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine

N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine (PubChem CID 118739975) has the molecular formula C18H23N7 and a molecular weight of 337.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
PubChem CID118739975
Molecular FormulaC18H23N7
Molecular Weight337.43 g/mol
Exact Mass337.20
IUPAC NameN,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine
SMILESCN(C)c1nccc(C2CCCCN2Cc2cnn3cccnc23)n1
InChIInChI=1S/C18H23N7/c1-23(2)18-20-9-7-15(22-18)16-6-3-4-10-24(16)13-14-12-21-25-11-5-8-19-17(14)25/h5,7-9,11-12,16H,3-4,6,10,13H2,1-2H3
InChIKeyDCLBUHZLDDBKJD-UHFFFAOYSA-N
XLogP2.31
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The IUPAC name of N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine (CID 118739975) is N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine is CN(C)c1nccc(C2CCCCN2Cc2cnn3cccnc23)n1.
What is the InChIKey of N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
The InChIKey is DCLBUHZLDDBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7/c1-23(2)18-20-9-7-15(22-18)16-6-3-4-10-24(16)13-14-12-21-25-11-5-8-19-17(14)25/h5,7-9,11-12,16H,3-4,6,10,13H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine?
N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine has a molecular weight of 337.43 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)piperidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 118739975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).