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

C14H23N5O — CID 103839026

IUPAC1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol
SMILESCc1cc2ncc(CNCC(C)(O)CN(C)C)cn2n1
InChIInChI=1S/C14H23N5O/c1-11-5-13-16-7-12(8-19(13)17-11)6-15-9-14(2,20)10-18(3)4/h5,7-8,15,20H,6,9-10H2,1-4H3
InChIKeyQJUNGLJRBYLFJC-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.44
Rot. Bonds6

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

1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol (PubChem CID 103839026) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol
PubChem CID103839026
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol
SMILESCc1cc2ncc(CNCC(C)(O)CN(C)C)cn2n1
InChIInChI=1S/C14H23N5O/c1-11-5-13-16-7-12(8-19(13)17-11)6-15-9-14(2,20)10-18(3)4/h5,7-8,15,20H,6,9-10H2,1-4H3
InChIKeyQJUNGLJRBYLFJC-UHFFFAOYSA-N
XLogP0.44
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol?
The IUPAC name of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol (CID 103839026) is 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol?
The canonical SMILES for 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol is Cc1cc2ncc(CNCC(C)(O)CN(C)C)cn2n1.
What is the InChIKey of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol?
The InChIKey is QJUNGLJRBYLFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11-5-13-16-7-12(8-19(13)17-11)6-15-9-14(2,20)10-18(3)4/h5,7-8,15,20H,6,9-10H2,1-4H3.
What are the key properties of 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol?
1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol has a molecular weight of 277.37 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-2-methyl-3-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propan-2-ol is sourced from PubChem (CID 103839026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).