5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine

C14H20N6O — CID 72882713

IUPAC5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCCOC(Cn2cccn2)C1
InChIInChI=1S/C14H20N6O/c1-11-8-16-14(15)18-13(11)19-5-3-7-21-12(9-19)10-20-6-2-4-17-20/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,15,16,18)
InChIKeyYJDAFMKPXICDRY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.86
Rot. Bonds3

About 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine

5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine (PubChem CID 72882713) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
PubChem CID72882713
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC Name5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine
SMILESCc1cnc(N)nc1N1CCCOC(Cn2cccn2)C1
InChIInChI=1S/C14H20N6O/c1-11-8-16-14(15)18-13(11)19-5-3-7-21-12(9-19)10-20-6-2-4-17-20/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,15,16,18)
InChIKeyYJDAFMKPXICDRY-UHFFFAOYSA-N
XLogP0.86
TPSA82.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine (CID 72882713) is 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine is Cc1cnc(N)nc1N1CCCOC(Cn2cccn2)C1.
What is the InChIKey of 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
The InChIKey is YJDAFMKPXICDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11-8-16-14(15)18-13(11)19-5-3-7-21-12(9-19)10-20-6-2-4-17-20/h2,4,6,8,12H,3,5,7,9-10H2,1H3,(H2,15,16,18).
What are the key properties of 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine?
5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine has a molecular weight of 288.35 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 72882713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).