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

C18H30N4O — CID 72911423

IUPAC1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NC3CCOCC3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-3-4-17-13-18(20-14(2)19-17)22-9-5-15(6-10-22)21-16-7-11-23-12-8-16/h13,15-16,21H,3-12H2,1-2H3
InChIKeyUZQMIKSSGJPIQC-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.47
Rot. Bonds5

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

1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 72911423) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine
PubChem CID72911423
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NC3CCOCC3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-3-4-17-13-18(20-14(2)19-17)22-9-5-15(6-10-22)21-16-7-11-23-12-8-16/h13,15-16,21H,3-12H2,1-2H3
InChIKeyUZQMIKSSGJPIQC-UHFFFAOYSA-N
XLogP2.47
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine (CID 72911423) is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(NC3CCOCC3)CC2)nc(C)n1.
What is the InChIKey of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is UZQMIKSSGJPIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-3-4-17-13-18(20-14(2)19-17)22-9-5-15(6-10-22)21-16-7-11-23-12-8-16/h13,15-16,21H,3-12H2,1-2H3.
What are the key properties of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine?
1-(2-methyl-6-propylpyrimidin-4-yl)-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 318.47 g/mol, XLogP of 2.47, 5 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-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 72911423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).