5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine

C17H24N4 — CID 79722755

IUPAC5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Cc2ccc(CC)cn2)c1CC
InChIInChI=1S/C17H24N4/c1-4-9-18-17-15(6-3)16(20-12-21-17)10-14-8-7-13(5-2)11-19-14/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20,21)
InChIKeyFUIINVDITLYQPO-UHFFFAOYSA-N
MW284.41 g/mol
LogP3.41
Rot. Bonds7

About 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine

5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine (PubChem CID 79722755) has the molecular formula C17H24N4 and a molecular weight of 284.41 g/mol. Its IUPAC name is 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine
PubChem CID79722755
Molecular FormulaC17H24N4
Molecular Weight284.41 g/mol
Exact Mass284.20
IUPAC Name5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(Cc2ccc(CC)cn2)c1CC
InChIInChI=1S/C17H24N4/c1-4-9-18-17-15(6-3)16(20-12-21-17)10-14-8-7-13(5-2)11-19-14/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20,21)
InChIKeyFUIINVDITLYQPO-UHFFFAOYSA-N
XLogP3.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine (CID 79722755) is 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine is CCCNc1ncnc(Cc2ccc(CC)cn2)c1CC.
What is the InChIKey of 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine?
The InChIKey is FUIINVDITLYQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4/c1-4-9-18-17-15(6-3)16(20-12-21-17)10-14-8-7-13(5-2)11-19-14/h7-8,11-12H,4-6,9-10H2,1-3H3,(H,18,20,21).
What are the key properties of 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine?
5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine has a molecular weight of 284.41 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79722755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).