N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine

C14H24N4O3S — CID 110257351

IUPACN-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H24N4O3S/c1-11-9-13(15-6-8-21-2)17-14(16-11)12-5-4-7-18(10-12)22(3,19)20/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyJHICKKGGKAVUJW-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.98
Rot. Bonds6

About N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine

N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine (PubChem CID 110257351) has the molecular formula C14H24N4O3S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
PubChem CID110257351
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(C2CCCN(S(C)(=O)=O)C2)n1
InChIInChI=1S/C14H24N4O3S/c1-11-9-13(15-6-8-21-2)17-14(16-11)12-5-4-7-18(10-12)22(3,19)20/h9,12H,4-8,10H2,1-3H3,(H,15,16,17)
InChIKeyJHICKKGGKAVUJW-UHFFFAOYSA-N
XLogP0.98
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine (CID 110257351) is N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine is COCCNc1cc(C)nc(C2CCCN(S(C)(=O)=O)C2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
The InChIKey is JHICKKGGKAVUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11-9-13(15-6-8-21-2)17-14(16-11)12-5-4-7-18(10-12)22(3,19)20/h9,12H,4-8,10H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine?
N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine has a molecular weight of 328.44 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 110257351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).