5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine

C15H20N6O — CID 166626772

IUPAC5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1N1C2CCC1COC2
InChIInChI=1S/C15H20N6O/c1-10-5-16-15(18-11-6-17-20(2)7-11)19-14(10)21-12-3-4-13(21)9-22-8-12/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,16,18,19)
InChIKeyJQJVVWXJBZMBCX-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.63
Rot. Bonds3

About 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine

5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine (PubChem CID 166626772) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine
PubChem CID166626772
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine
SMILESCc1cnc(Nc2cnn(C)c2)nc1N1C2CCC1COC2
InChIInChI=1S/C15H20N6O/c1-10-5-16-15(18-11-6-17-20(2)7-11)19-14(10)21-12-3-4-13(21)9-22-8-12/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,16,18,19)
InChIKeyJQJVVWXJBZMBCX-UHFFFAOYSA-N
XLogP1.63
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine?
The IUPAC name of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine (CID 166626772) is 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine?
The canonical SMILES for 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine is Cc1cnc(Nc2cnn(C)c2)nc1N1C2CCC1COC2.
What is the InChIKey of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine?
The InChIKey is JQJVVWXJBZMBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-10-5-16-15(18-11-6-17-20(2)7-11)19-14(10)21-12-3-4-13(21)9-22-8-12/h5-7,12-13H,3-4,8-9H2,1-2H3,(H,16,18,19).
What are the key properties of 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine?
5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-methylpyrazol-4-yl)-4-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-2-amine is sourced from PubChem (CID 166626772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).