1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine

C14H22N4O — CID 65047758

IUPAC1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
SMILESCOCC(NCc1cnc2cc(C)nn2c1)C(C)C
InChIInChI=1S/C14H22N4O/c1-10(2)13(9-19-4)15-6-12-7-16-14-5-11(3)17-18(14)8-12/h5,7-8,10,13,15H,6,9H2,1-4H3
InChIKeyQVDHCQMHFHDFFU-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.80
Rot. Bonds6

About 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine

1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine (PubChem CID 65047758) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
PubChem CID65047758
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine
SMILESCOCC(NCc1cnc2cc(C)nn2c1)C(C)C
InChIInChI=1S/C14H22N4O/c1-10(2)13(9-19-4)15-6-12-7-16-14-5-11(3)17-18(14)8-12/h5,7-8,10,13,15H,6,9H2,1-4H3
InChIKeyQVDHCQMHFHDFFU-UHFFFAOYSA-N
XLogP1.80
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine?
The IUPAC name of 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine (CID 65047758) is 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine.
What is the SMILES notation for 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine?
The canonical SMILES for 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine is COCC(NCc1cnc2cc(C)nn2c1)C(C)C.
What is the InChIKey of 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine?
The InChIKey is QVDHCQMHFHDFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10(2)13(9-19-4)15-6-12-7-16-14-5-11(3)17-18(14)8-12/h5,7-8,10,13,15H,6,9H2,1-4H3.
What are the key properties of 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine?
1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-N-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]butan-2-amine is sourced from PubChem (CID 65047758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).