1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine

C18H32N4O — CID 72854593

IUPAC1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCCOC(C)C)CC2)nc(C)n1
InChIInChI=1S/C18H32N4O/c1-5-6-17-13-18(21-15(4)20-17)22-10-7-16(8-11-22)19-9-12-23-14(2)3/h13-14,16,19H,5-12H2,1-4H3
InChIKeyVSGZVESUYNCXPQ-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.72
Rot. Bonds8

About 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine

1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine (PubChem CID 72854593) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine
PubChem CID72854593
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NCCOC(C)C)CC2)nc(C)n1
InChIInChI=1S/C18H32N4O/c1-5-6-17-13-18(21-15(4)20-17)22-10-7-16(8-11-22)19-9-12-23-14(2)3/h13-14,16,19H,5-12H2,1-4H3
InChIKeyVSGZVESUYNCXPQ-UHFFFAOYSA-N
XLogP2.72
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine (CID 72854593) is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine is CCCc1cc(N2CCC(NCCOC(C)C)CC2)nc(C)n1.
What is the InChIKey of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
The InChIKey is VSGZVESUYNCXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-5-6-17-13-18(21-15(4)20-17)22-10-7-16(8-11-22)19-9-12-23-14(2)3/h13-14,16,19H,5-12H2,1-4H3.
What are the key properties of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine?
1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine has a molecular weight of 320.48 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(2-propan-2-yloxyethyl)piperidin-4-amine is sourced from PubChem (CID 72854593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).