2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol

C15H24N4O — CID 66181252

IUPAC2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
SMILESCc1cc2ncc(CNCC(C)(O)CC(C)C)cn2n1
InChIInChI=1S/C15H24N4O/c1-11(2)6-15(4,20)10-16-7-13-8-17-14-5-12(3)18-19(14)9-13/h5,8-9,11,16,20H,6-7,10H2,1-4H3
InChIKeyKMRKTXNBHUNLID-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.92
Rot. Bonds6

About 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol

2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol (PubChem CID 66181252) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
PubChem CID66181252
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol
SMILESCc1cc2ncc(CNCC(C)(O)CC(C)C)cn2n1
InChIInChI=1S/C15H24N4O/c1-11(2)6-15(4,20)10-16-7-13-8-17-14-5-12(3)18-19(14)9-13/h5,8-9,11,16,20H,6-7,10H2,1-4H3
InChIKeyKMRKTXNBHUNLID-UHFFFAOYSA-N
XLogP1.92
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol (CID 66181252) is 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol is Cc1cc2ncc(CNCC(C)(O)CC(C)C)cn2n1.
What is the InChIKey of 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol?
The InChIKey is KMRKTXNBHUNLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)6-15(4,20)10-16-7-13-8-17-14-5-12(3)18-19(14)9-13/h5,8-9,11,16,20H,6-7,10H2,1-4H3.
What are the key properties of 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol?
2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol has a molecular weight of 276.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 66181252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).