5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine

C17H23N5 — CID 56768152

IUPAC5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCC2CCNCC2)c1C
InChIInChI=1S/C17H23N5/c1-12-13(2)21-17(15-5-9-19-10-6-15)22-16(12)20-11-14-3-7-18-8-4-14/h5-6,9-10,14,18H,3-4,7-8,11H2,1-2H3,(H,20,21,22)
InChIKeyNJFCAJJAMAPIBD-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.57
Rot. Bonds4

About 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine

5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 56768152) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID56768152
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCc1nc(-c2ccncc2)nc(NCC2CCNCC2)c1C
InChIInChI=1S/C17H23N5/c1-12-13(2)21-17(15-5-9-19-10-6-15)22-16(12)20-11-14-3-7-18-8-4-14/h5-6,9-10,14,18H,3-4,7-8,11H2,1-2H3,(H,20,21,22)
InChIKeyNJFCAJJAMAPIBD-UHFFFAOYSA-N
XLogP2.57
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 56768152) is 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine is Cc1nc(-c2ccncc2)nc(NCC2CCNCC2)c1C.
What is the InChIKey of 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is NJFCAJJAMAPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-12-13(2)21-17(15-5-9-19-10-6-15)22-16(12)20-11-14-3-7-18-8-4-14/h5-6,9-10,14,18H,3-4,7-8,11H2,1-2H3,(H,20,21,22).
What are the key properties of 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56768152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).