2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine

C14H22N4 — CID 115600931

IUPAC2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1cnc2cc(C)nn2c1
InChIInChI=1S/C14H22N4/c1-5-6-14(3,4)16-9-12-8-15-13-7-11(2)17-18(13)10-12/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyXWJXXBCWPSSRGE-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine

2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine (PubChem CID 115600931) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
PubChem CID115600931
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine
SMILESCCCC(C)(C)NCc1cnc2cc(C)nn2c1
InChIInChI=1S/C14H22N4/c1-5-6-14(3,4)16-9-12-8-15-13-7-11(2)17-18(13)10-12/h7-8,10,16H,5-6,9H2,1-4H3
InChIKeyXWJXXBCWPSSRGE-UHFFFAOYSA-N
XLogP2.71
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine?
The IUPAC name of 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine (CID 115600931) is 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine.
What is the SMILES notation for 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine?
The canonical SMILES for 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine is CCCC(C)(C)NCc1cnc2cc(C)nn2c1.
What is the InChIKey of 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine?
The InChIKey is XWJXXBCWPSSRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-6-14(3,4)16-9-12-8-15-13-7-11(2)17-18(13)10-12/h7-8,10,16H,5-6,9H2,1-4H3.
What are the key properties of 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine?
2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine has a molecular weight of 246.36 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]pentan-2-amine is sourced from PubChem (CID 115600931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).