N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine

C12H14N6 — CID 63784556

IUPACN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
SMILESCc1cc2ncc(CNCc3cn[nH]c3)cn2n1
InChIInChI=1S/C12H14N6/c1-9-2-12-14-5-11(8-18(12)17-9)4-13-3-10-6-15-16-7-10/h2,5-8,13H,3-4H2,1H3,(H,15,16)
InChIKeyPQWUASFVGUIYTC-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.05
Rot. Bonds4

About N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine

N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine (PubChem CID 63784556) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
PubChem CID63784556
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC NameN-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine
SMILESCc1cc2ncc(CNCc3cn[nH]c3)cn2n1
InChIInChI=1S/C12H14N6/c1-9-2-12-14-5-11(8-18(12)17-9)4-13-3-10-6-15-16-7-10/h2,5-8,13H,3-4H2,1H3,(H,15,16)
InChIKeyPQWUASFVGUIYTC-UHFFFAOYSA-N
XLogP1.05
TPSA70.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The IUPAC name of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine (CID 63784556) is N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine.
What is the SMILES notation for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The canonical SMILES for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine is Cc1cc2ncc(CNCc3cn[nH]c3)cn2n1.
What is the InChIKey of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
The InChIKey is PQWUASFVGUIYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-9-2-12-14-5-11(8-18(12)17-9)4-13-3-10-6-15-16-7-10/h2,5-8,13H,3-4H2,1H3,(H,15,16).
What are the key properties of N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine?
N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine has a molecular weight of 242.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]-1-(1H-pyrazol-4-yl)methanamine is sourced from PubChem (CID 63784556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).