2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C19H29N5O — CID 56886900

IUPAC2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCN(CC3CCCO3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C19H29N5O/c1-13-11-18(24-19(20-13)14(2)15(3)22-24)21-16-6-8-23(9-7-16)12-17-5-4-10-25-17/h11,16-17,21H,4-10,12H2,1-3H3
InChIKeyQTSPFTHMGGJJQP-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.71
Rot. Bonds4

About 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine

2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56886900) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56886900
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NC2CCN(CC3CCCO3)CC2)n2nc(C)c(C)c2n1
InChIInChI=1S/C19H29N5O/c1-13-11-18(24-19(20-13)14(2)15(3)22-24)21-16-6-8-23(9-7-16)12-17-5-4-10-25-17/h11,16-17,21H,4-10,12H2,1-3H3
InChIKeyQTSPFTHMGGJJQP-UHFFFAOYSA-N
XLogP2.71
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 56886900) is 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NC2CCN(CC3CCCO3)CC2)n2nc(C)c(C)c2n1.
What is the InChIKey of 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is QTSPFTHMGGJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-13-11-18(24-19(20-13)14(2)15(3)22-24)21-16-6-8-23(9-7-16)12-17-5-4-10-25-17/h11,16-17,21H,4-10,12H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 343.48 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-N-[1-(oxolan-2-ylmethyl)piperidin-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56886900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).