4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol

C14H22N4O — CID 103700937

IUPAC4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
SMILESCc1cc2ncc(CNC(CCO)C(C)C)cn2n1
InChIInChI=1S/C14H22N4O/c1-10(2)13(4-5-19)15-7-12-8-16-14-6-11(3)17-18(14)9-12/h6,8-10,13,15,19H,4-5,7H2,1-3H3
InChIKeyMZGNTVSLSVPSDU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.53
Rot. Bonds6

About 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol

4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol (PubChem CID 103700937) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
PubChem CID103700937
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol
SMILESCc1cc2ncc(CNC(CCO)C(C)C)cn2n1
InChIInChI=1S/C14H22N4O/c1-10(2)13(4-5-19)15-7-12-8-16-14-6-11(3)17-18(14)9-12/h6,8-10,13,15,19H,4-5,7H2,1-3H3
InChIKeyMZGNTVSLSVPSDU-UHFFFAOYSA-N
XLogP1.53
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol (CID 103700937) is 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol is Cc1cc2ncc(CNC(CCO)C(C)C)cn2n1.
What is the InChIKey of 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol?
The InChIKey is MZGNTVSLSVPSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)13(4-5-19)15-7-12-8-16-14-6-11(3)17-18(14)9-12/h6,8-10,13,15,19H,4-5,7H2,1-3H3.
What are the key properties of 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol?
4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 103700937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).