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

C14H24N4O3S — CID 110090056

IUPACN-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O3S/c1-11-10-13(15-6-9-21-2)17-14(16-11)12-4-7-18(8-5-12)22(3,19)20/h10,12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyGYBYFGAIMJJJEH-UHFFFAOYSA-N
MW328.44 g/mol
LogP0.98
Rot. Bonds6

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

N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 110090056) 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-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID110090056
Molecular FormulaC14H24N4O3S
Molecular Weight328.44 g/mol
Exact Mass328.16
IUPAC NameN-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine
SMILESCOCCNc1cc(C)nc(C2CCN(S(C)(=O)=O)CC2)n1
InChIInChI=1S/C14H24N4O3S/c1-11-10-13(15-6-9-21-2)17-14(16-11)12-4-7-18(8-5-12)22(3,19)20/h10,12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyGYBYFGAIMJJJEH-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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Related Compounds

N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-3-yl)pyrimidin-4-amine
CID 110257351
N-(2-methoxyethyl)-2-methyl-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidin-4-amine
CID 95825107
N-(2-methoxyethyl)-6-methyl-2-piperidin-1-ylpyrimidin-4-amine
CID 112910154
4-N-cyclopropyl-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112867448
2-cyclopropyl-6-N-ethyl-4-N-[2-(2-methoxyethoxy)ethyl]pyrimidine-4,6-diamine
CID 80957729
2-N-ethyl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80766008
2-cyclopropyl-6-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80967531
N-ethyl-6-methyl-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-amine
CID 39730276
2-(1-ethylsulfonylpiperidin-4-yl)-N-(2-methoxyethyl)-6-methylpyridine-3-carboxamide
CID 42852218
6-butoxy-2-cyclohexyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 82458423
4,6-dimethyl-N-[6-(1-methylsulfonylpiperidin-4-yl)-2-pyridinyl]pyrimidin-2-amine
CID 110093805
N-(2-methoxyethyl)-2-methyl-6-(4-methylmorpholin-2-yl)pyrimidin-4-amine
CID 110271353

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine (CID 110090056) is N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine is COCCNc1cc(C)nc(C2CCN(S(C)(=O)=O)CC2)n1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is GYBYFGAIMJJJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3S/c1-11-10-13(15-6-9-21-2)17-14(16-11)12-4-7-18(8-5-12)22(3,19)20/h10,12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-yl)pyrimidin-4-amine?
N-(2-methoxyethyl)-6-methyl-2-(1-methylsulfonylpiperidin-4-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-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 110090056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).