4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

C13H18N6O — CID 118139516

IUPAC4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOc1ccnc(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C13H18N6O/c1-20-12-4-7-15-13(18-12)17-10-8-16-19(9-10)11-2-5-14-6-3-11/h4,7-9,11,14H,2-3,5-6H2,1H3,(H,15,17,18)
InChIKeyXRFVEIPDYHQKNJ-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.35
Rot. Bonds4

About 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine

4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 118139516) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID118139516
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCOc1ccnc(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C13H18N6O/c1-20-12-4-7-15-13(18-12)17-10-8-16-19(9-10)11-2-5-14-6-3-11/h4,7-9,11,14H,2-3,5-6H2,1H3,(H,15,17,18)
InChIKeyXRFVEIPDYHQKNJ-UHFFFAOYSA-N
XLogP1.35
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (CID 118139516) is 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is COc1ccnc(Nc2cnn(C3CCNCC3)c2)n1.
What is the InChIKey of 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is XRFVEIPDYHQKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-20-12-4-7-15-13(18-12)17-10-8-16-19(9-10)11-2-5-14-6-3-11/h4,7-9,11,14H,2-3,5-6H2,1H3,(H,15,17,18).
What are the key properties of 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 274.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 118139516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).