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

C13H18N6 — CID 134421040

IUPAC4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1ccnc(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C13H18N6/c1-10-2-7-15-13(17-10)18-11-8-16-19(9-11)12-3-5-14-6-4-12/h2,7-9,12,14H,3-6H2,1H3,(H,15,17,18)
InChIKeyAIGDHMGKYZVHKE-UHFFFAOYSA-N
MW258.33 g/mol
LogP1.65
Rot. Bonds3

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

4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 134421040) has the molecular formula C13H18N6 and a molecular weight of 258.33 g/mol. Its IUPAC name is 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID134421040
Molecular FormulaC13H18N6
Molecular Weight258.33 g/mol
Exact Mass258.16
IUPAC Name4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine
SMILESCc1ccnc(Nc2cnn(C3CCNCC3)c2)n1
InChIInChI=1S/C13H18N6/c1-10-2-7-15-13(17-10)18-11-8-16-19(9-11)12-3-5-14-6-4-12/h2,7-9,12,14H,3-6H2,1H3,(H,15,17,18)
InChIKeyAIGDHMGKYZVHKE-UHFFFAOYSA-N
XLogP1.65
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.33
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine (CID 134421040) is 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is Cc1ccnc(Nc2cnn(C3CCNCC3)c2)n1.
What is the InChIKey of 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is AIGDHMGKYZVHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6/c1-10-2-7-15-13(17-10)18-11-8-16-19(9-11)12-3-5-14-6-4-12/h2,7-9,12,14H,3-6H2,1H3,(H,15,17,18).
What are the key properties of 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine?
4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 258.33 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-piperidin-4-ylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 134421040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).