5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine

C18H25N5 — CID 56768154

IUPAC5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccncc2)nc1NCC1CCNCC1
InChIInChI=1S/C18H25N5/c1-3-16-13(2)22-17(15-6-10-20-11-7-15)23-18(16)21-12-14-4-8-19-9-5-14/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3,(H,21,22,23)
InChIKeyMOFAYLOBUWOKAZ-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.82
Rot. Bonds5

About 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine

5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine (PubChem CID 56768154) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
PubChem CID56768154
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccncc2)nc1NCC1CCNCC1
InChIInChI=1S/C18H25N5/c1-3-16-13(2)22-17(15-6-10-20-11-7-15)23-18(16)21-12-14-4-8-19-9-5-14/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3,(H,21,22,23)
InChIKeyMOFAYLOBUWOKAZ-UHFFFAOYSA-N
XLogP2.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine (CID 56768154) is 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine is CCc1c(C)nc(-c2ccncc2)nc1NCC1CCNCC1.
What is the InChIKey of 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
The InChIKey is MOFAYLOBUWOKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-3-16-13(2)22-17(15-6-10-20-11-7-15)23-18(16)21-12-14-4-8-19-9-5-14/h6-7,10-11,14,19H,3-5,8-9,12H2,1-2H3,(H,21,22,23).
What are the key properties of 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine?
5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine has a molecular weight of 311.43 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-methyl-N-(piperidin-4-ylmethyl)-2-pyridin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 56768154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).